SCHEMBL1479646

SCHEMBL1479646

COC(=O)c1ccc(N2CCCS2(=O)=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PIK3C3 Q8NEB9 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TP53 P04637 5/20 0.44
HTR7 P34969 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL1480148 0.95 RAB9A (0.52) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL1479429 0.86 POLB (0.53) KDM4ESMN1; SMN2PIK3C3ALDH1A1TP53
SCHEMBL15683473 0.85 ALDH1A1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL15668626 0.85 CYP1A2 (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL14686559 0.82 ALDH1A1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL15684014 0.82 ALDH1A1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4826974 0.82 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL2333365 0.81 POLB (0.58) KDM4ESMN1; SMN2PIK3C3ALDH1A1TP53
SCHEMBL1479511 0.81 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5434812 0.80 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TP53MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812412-B1 SUBSTITUTED BENZOYLGUANIDINES METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2008-04-23 EP claimed
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-22 US claimed
US-8791103-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-8445525-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-7947700-B2 Factor Xa or related serine protease inhibitors; such as 3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-ethyl]-4-(1,4-diazepan-1-yl)benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-24 US disclosed
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
US-7772262-B2 Substituted benzoylguanidines, method for production and use thereof as medicament or diagnostic and medicament comprising the same SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-7371743-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-22 US disclosed
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US 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-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC KDM4E 4097/4885NPC1 2338/4885RAB9A 2509/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC KDM4E 4097/4885NPC1 2338/4885RAB9A 2509/4885
US-20070270414-A1 SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT OR DIAGNOSTIC AND MEDICAMENT COMPRISING THE SAME SLC9A1, SLC9B2, SLC9A2 KDM4E 1852/4885NPC1 200/4885RAB9A 317/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT KDM4E 3961/4885NPC1 2253/4885RAB9A 2602/4885
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide F12, TFPI, F11 KDM4E 2055/4885NPC1 4191/4885RAB9A 3763/4885

“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.