SCHEMBL580653

SCHEMBL580653

O=C(O)c1ccc(N2CCNCC2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.55
DDR1 Q08345 1/20 0.50
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
XPO1 O14980 2/20 0.45
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SERPINE1 P05121 1/20 0.44
CYP3A4 P08684 1/20 0.44
SLC9A1 P19634 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.44
NR4A1 P22736 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 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
SCHEMBL3526351 0.87 TTR (0.59) TTRRARARARBRARGKDM4E
SCHEMBL3643489 0.85 KDM4E (0.61) TTRRARARARBRARGKDM4E
SCHEMBL2776207 0.85 KDM4E (0.61) TTRRARARARBRARGKDM4E
SCHEMBL1481753 0.84 DDR1 (0.52) DDR1KDM4EALDH1A1
SCHEMBL28000110 0.83 TTR (0.59) TTRRARARARBRARGXPO1
SCHEMBL20577940 0.83 TTR (0.55) TTRRARARARBRARGXPO1
SCHEMBL580818 0.83 TTR (0.55) TTRKDM4EGAAALDH1A1
SCHEMBL3533360 0.83 TTR (0.59) TTRDDR1RARARARBRARG
SCHEMBL31073561 0.82 MAPT (0.55) DDR1KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL4285100 0.82 TTR (0.57) TTRDDR1RARARARBRARG

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 14 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
CN-101103022-B New carboxylic acid amide used as XA inhititor BOEHRINGER INGELHEIM INT 2012-06-27 CN disclosed
EP-1771441-B8 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
EP-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP 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
CN-101103022-A New carboxylic acid amide used as XA inhititor BOEHRINGER INGELHEIM PHARMA (DE) 2008-01-09 CN disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP 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
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO 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 TTR 866/4885DDR1 4562/4885RARA 278/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC TTR 866/4885DDR1 4562/4885RARA 278/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT TTR 789/4885DDR1 4659/4885RARA 298/4885
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 TTR 512/4885DDR1 1766/4885RARA 4290/4885

“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.