SCHEMBL1479490

SCHEMBL1479490

Cc1cc(C(=O)Cl)ccc1N1CCCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTR2A P28223 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A3 P47895 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 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
SCHEMBL1479441 0.87 GAA (0.51) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
Hydrochloric Acid SCHEMBL1479491 0.86 GAA (0.50) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
SCHEMBL12752917 0.81 HSD17B10 (0.57) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
SCHEMBL27195818 0.78 AR (0.40) ALDH1A1KDM4EHSD17B10LMNAPOLB
Lithium Ion SCHEMBL30806914 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
SCHEMBL15872025 0.77 ALDH1A1 (0.55) ALDH1A1HTR1DHTR1BLMNASMN1; SMN2
SCHEMBL30863572 0.77 WDR5 (0.56) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
SCHEMBL26472479 0.77 WDR5 (0.56) ALDH1A1KDM4EHSD17B10HTR1DHTR1B
SCHEMBL1479263 0.76 KDM4E (0.51) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL31003567 0.75 KDM4E (0.48) ALDH1A1KDM4EHSD17B10

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 275/4885KDM4E 4097/4885HSD17B10 1944/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC ALDH1A1 275/4885KDM4E 4097/4885HSD17B10 1944/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT ALDH1A1 165/4885KDM4E 3961/4885HSD17B10 2142/4885
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 934/4885KDM4E 2055/4885HSD17B10 3973/4885

“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.