SCHEMBL282759

SCHEMBL282759

[CH2]CCCc1nccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.44
CYP2A6 P11509 1/20 0.44
F12 P00748 1/20 0.44
NCF1 P14598 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.40
PLG P00747 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
CYP3A4 P08684 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9112308 0.95 PLAU (0.43) PLAUCYP2A6F12NCF1NOS3
SCHEMBL731893 0.89 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3248709 0.89 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3250398 0.89 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29986248 0.89 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL18154032 0.87 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL31122674 0.87 PLAU (0.48) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL11152119 0.85 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
Bromide SCHEMBL18154039 0.85 PLAU (0.47) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4067893 0.82 CYP2A6 (0.48) PLAUCYP2A6F12NCF1NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230254-B1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2021-09-22 EP disclosed
US-11072606-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-07-27 US disclosed
US-20200396995-A1 INHIBITORS OF GRB2-ASSOCIATED BINDING PROTEIN 1 (GAB1) AND METHODS OF TREATING CANCER USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-24 US disclosed
CN-107207407-B Compositions and methods for treating diseases and disorders 高等教育联邦系统-匹兹堡大学 2020-12-01 CN disclosed
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-03-19 US disclosed
US-10487076-B2 Compositions and methods for treating diseases and conditions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-11-26 US disclosed
US-10448637-B2 Inhibitors of GRB2-associated binding protein 1 (GAB1) and methods of treating cancer using the same ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-10-22 US disclosed
US-10092526-B2 Compositions and methods for treating respiratory injury or disease University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-10-09 US disclosed
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-17 US disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-20040152696-A1 2-substituted bicyclic benzoheterocyclic compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-08-05 US disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
US-20040116415-A1 Aminoalkyl-substituted aryl compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-06-17 US disclosed
US-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2004-03-18 US disclosed
WO-2003095625-A2 METHOD FOR CYTOPROTECTION THROUGH MDM2 AND HDM2 INHIBITION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-11-20 WO disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
US-20030109518-A1 Substituted 1,4-benzodiazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-12 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11072606-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R PLAU 2370/4885CYP2A6 39/4885F12 27/4885
US-10487076-B2 Compositions and methods for treating diseases and conditions C1S, SLC10A1, C1R PLAU 2442/4885CYP2A6 35/4885F12 32/4885
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 PLAU 4592/4885CYP2A6 1920/4885F12 4585/4885
US-20040152696-A1 2-substituted bicyclic benzoheterocyclic compounds and their use as sodium channel blockers CACNA1C, CACNA1D, SCN2B PLAU 3458/4885CYP2A6 3060/4885F12 2590/4885
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S PLAU 1286/4885CYP2A6 177/4885F12 15/4885
US-20200396995-A1 INHIBITORS OF GRB2-ASSOCIATED BINDING PROTEIN 1 (GAB1) AND METHODS OF TREATING CANCER USING THE SAME GAB1, GRB2, BCR PLAU 3607/4885CYP2A6 4510/4885F12 4254/4885
US-10092526-B2 Compositions and methods for treating respiratory injury or disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S PLAU 1286/4885CYP2A6 177/4885F12 15/4885
US-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis POLRMT, RNGTT, POLI PLAU 2950/4885CYP2A6 2571/4885F12 4778/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 PLAU 4623/4885CYP2A6 316/4885F12 654/4885
US-20200087294-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R PLAU 2370/4885CYP2A6 39/4885F12 27/4885
US-10448637-B2 Inhibitors of GRB2-associated binding protein 1 (GAB1) and methods of treating cancer using the same GAB1, GRB2, BCR PLAU 3691/4885CYP2A6 4496/4885F12 3984/4885
US-20180134693-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS C1S, SLC10A1, C1R PLAU 2442/4885CYP2A6 35/4885F12 32/4885
US-20030109518-A1 Substituted 1,4-benzodiazepines and uses thereof MDM2, CBR1, ADRM1 PLAU 4699/4885CYP2A6 229/4885F12 1225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.