SCHEMBL2332030

SCHEMBL2332030

O=C(O)c1ccc(N2CCCNCC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADRB1 P08588 2/20 0.45
TSHR P16473 3/20 0.45
HTR6 P50406 3/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
TTR P02766 1/20 0.43
KMO O15229 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL2307303 0.94 ADRB1 (0.50) KDM4EGAAPOLBTDP1HSD17B10
Hydrochloric Acid SCHEMBL10318583 0.93 ADRB1 (0.49) KDM4EGAAPOLBTDP1HSD17B10
SCHEMBL29784244 0.86 KDM4E (0.66) KDM4EGAAPOLBTDP1HSD17B10
SCHEMBL1398597 0.86 KDM4E (0.66) KDM4EGAAPOLBTDP1HSD17B10
SCHEMBL8806160 0.85 GAA (0.69) KDM4EGAAPOLBTDP1HSD17B10
SCHEMBL4820469 0.84 KDM4E (0.55) KDM4EHSD17B10L3MBTL1ADRB1TSHR
SCHEMBL15818889 0.81 ALDH1A1 (0.49) KDM4EGAAPOLBHSD17B10L3MBTL1
SCHEMBL30542908 0.81 ALDH1A1 (0.49) KDM4EGAAPOLBHSD17B10L3MBTL1
SCHEMBL3922628 0.81 ALDH1A1 (0.49) KDM4EHSD17B10L3MBTL1ADRB1TSHR
SCHEMBL27950425 0.79 MYC (0.51) KDM4EGAAPOLBTDP1HSD17B10

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 7 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
EP-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP 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 (3 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 4097/4885GAA 599/4885POLB 2264/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT KDM4E 3961/4885GAA 495/4885POLB 1743/4885
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 2055/4885GAA 1068/4885POLB 4360/4885

“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.