SCHEMBL839236

SCHEMBL839236

[CH2]c1cccc(NC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
RAB9A P51151 3/20 0.58
POLB P06746 1/20 0.58
NR4A1 P22736 1/20 0.58
NAPRT Q6XQN6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.53
NQO2 P16083 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL1901172 0.85 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL28332617 0.82 GPR35 (0.50) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL5544122 0.81 MAPK1 (0.54) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL8926778 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10RAB9APOLBMAPT
SCHEMBL26697030 0.80 MEN1 (0.69) ALDH1A1HSD17B10CYP1A2RAB9AMAPT
SCHEMBL7140644 0.80 MAPT (0.50) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL1487963 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL7877542 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL8927633 0.79 TP53 (0.59) TP53
SCHEMBL1196809 0.79 NPSR1 (0.65) ALDH1A1RAB9APOLBL3MBTL1MAPT

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 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
US-6133263-A FOR TREATING ELEVATED LEVELS OF ENDOTHELIN, ANGINA, ARRHYTHMIAS, ASTHMA, ATHEROSCLEROSIS, BENIGN PROSTATIC HYPERPLASIA, CHROHN'S DISEASE, CONGENITAL HEART DISEASE, CONGESTIVE HEART FAILURE, CONGESTIVE HEART FAILURE WARNER-LAMBERT COMPANY (US) 2000-10-17 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1997037986-A1 ENDOTHELIN ANTAGONISTS WITH ETHER-LINKED GROUPS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed

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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885HSD17B10 4265/4885CYP1A2 510/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885HSD17B10 3525/4885CYP1A2 4565/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALDH1A1 450/4885HSD17B10 3525/4885CYP1A2 4565/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 ALDH1A1 4063/4885HSD17B10 2996/4885CYP1A2 3612/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ALDH1A1 1874/4885HSD17B10 4265/4885CYP1A2 510/4885

“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.