SCHEMBL1744396

SCHEMBL1744396

Cc1cc2cc(Br)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 3/20 0.38
DYRK1A Q13627 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.33
AHR P35869 1/20 0.33
NR4A2 P43354 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3962610 0.83 CYP2A6 (0.38) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL31009687 0.83 CYP2A6 (0.38) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL144441 0.77 CYP2A6 (0.57) RAB9ACYP2A6DYRK1AALDH1A1MAPT
SCHEMBL3125932 0.77 HSP90AA1 (0.55) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL21326404 0.76 HSP90AA1 (0.53) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL18858489 0.75 HSP90AA1 (0.49) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL3478352 0.75 HSP90AA1 (0.49) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL13654389 0.74 BACE1 (0.53) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL144549 0.74 CYP2A6 (0.42) CYP2A6ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2090846 0.74 HSP90AA1 (0.52) HSP90AA1LMNAMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376125-A1 MECHANOPHORE WITH FORCE TRIGGERED STEREOCHEMISTRY CONVERSION SYRACUSE UNIVERSITY (US) 2024-11-14 US disclosed
CN-117510485-A Isoxazoline compounds for controlling invertebrate pests FMC公司 2024-02-06 CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
CN-117098757-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-11-21 CN disclosed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP disclosed
US-4895860-A ANTIDIABETIC, ANTILIPEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 US disclosed
EP-0073663-B1 THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pfizer Limited (GB) 1986-06-18 EP disclosed
US-4590200-A NON-INHIBITION OF PROSTACYCLIN SYNTHETASE OR CYCLO-OXYGENASE PFIZER INC. (US) 1986-05-20 US disclosed
US-4496572-A Benzo-fused thromboxane synthetase inhibitors PFIZER INC. (US) 1985-01-29 US disclosed
EP-0073663-A2 Thromboxane synthetase inhibitors, processes for their production, and pharmaceutical compositions comprising them Pfizer Limited (GB) 1983-03-09 EP 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 (5 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 HSP90AA1 4689/4885LMNA 1751/4885MEN1 4378/4885
US-20240376125-A1 MECHANOPHORE WITH FORCE TRIGGERED STEREOCHEMISTRY CONVERSION PCNA, CCNE2, PIEZO1 HSP90AA1 3324/4885LMNA 3439/4885MEN1 1298/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HSP90AA1 2194/4885LMNA 4601/4885MEN1 4485/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HSP90AA1 2194/4885LMNA 4601/4885MEN1 4485/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD HSP90AA1 813/4885LMNA 3168/4885MEN1 4845/4885

“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.