SCHEMBL794737

SCHEMBL794737

[c]1nc(Cc2ccccc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 2/20 0.39
CHUK O15111 1/20 0.39
TXNRD1 Q16881 1/20 0.39
NOX4 Q9NPH5 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SORT1 Q99523 1/20 0.37
TSHR P16473 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6329168 0.77 MAPT (0.47) RAB9ANPC1TDP1SMN1; SMN2L3MBTL1
SCHEMBL3641590 0.74 PTGS2 (0.40) CYP3A4CYP2C9
SCHEMBL1110277 0.72 RAB9A (0.47) RAB9ANPC1TDP1SMN1; SMN2L3MBTL1
SCHEMBL8649626 0.68 CALM1 (0.48) CALM1RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL2614741 0.68 CALM1 (0.61) CALM1RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL15323022 0.68 CALM1 (0.61) CALM1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL8652020 0.67 CALM1 (0.41) CALM1RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL2163588 0.66 CALM1 (0.50) CALM1L3MBTL1ALDH1A1TSHRTAAR1
SCHEMBL1110129 0.65 CALM1 (0.44) CALM1RAB9ANPC1TDP1SMN1; SMN2
SCHEMBL460058 0.64 CALM1 (0.55) CALM1RAB9ANPC1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018102006-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF ENSEMBLE THERAPEUTICS CORPORATION (US) 2018-06-07 WO claimed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US claimed
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 EP claimed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO claimed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US claimed
WO-2000071572-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2000-11-30 WO claimed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US claimed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP claimed
WO-2018102006-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF ENSEMBLE THERAPEUTICS CORPORATION (US) 2018-06-07 WO disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 WO disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-4681891-A Dihydro-2,6-dimethyl pyridines, formulations and method of use for treating angina pectoris, high blood pressure or disturbances of cerebral or peripheral blood flow CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
EP-0183091-A2 1,4-Dihydropyridines, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-06-04 EP disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed
EP-0172509-A2 Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments CASSELLA Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 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 (2 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-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 CALM1 2010/4885RAB9A 977/4885NPC1 3632/4885
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 CALM1 3031/4885RAB9A 2091/4885NPC1 1879/4885

“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.