SCHEMBL1479409

SCHEMBL1479409

O=C(O)c1ccc(N2CCCCC2=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 2/20 0.49
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.45
HTR7 P34969 1/20 0.44
GFER P55789 1/20 0.43
MAPT P10636 1/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43

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
SCHEMBL1478595 0.84 ALDH1A1 (0.53) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL4825042 0.83 GAA (0.56) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL1479266 0.82 CYP2C9 (0.55) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL4184080 0.80 ALDH1A1 (0.55) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL29784244 0.80 KDM4E (0.66) ALDH1A1HPGDTDP1GAAKDM4E
SCHEMBL1398597 0.80 KDM4E (0.66) ALDH1A1HPGDTDP1GAAKDM4E
SCHEMBL1481398 0.80 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL7934713 0.79 GAA (0.58) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2
SCHEMBL22816934 0.79 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1GAAKDM4E
SCHEMBL1479149 0.79 TDP1 (0.45) ALDH1A1HPGDCYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (4 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 ALDH1A1 275/4885HPGD 1836/4885CYP3A4 325/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC ALDH1A1 275/4885HPGD 1836/4885CYP3A4 325/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT ALDH1A1 165/4885HPGD 2357/4885CYP3A4 436/4885
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 ALDH1A1 934/4885HPGD 2481/4885CYP3A4 375/4885

“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.