SCHEMBL3987264

SCHEMBL3987264

CN(C)Cc1ccc(-c2ccc(-c3cc(C(N)=O)on3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
PARP2 Q9UGN5 1/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.42
ACVR1 Q04771 3/20 0.41
MAP2 P11137 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CHUK O15111 1/20 0.41
INSR P06213 1/20 0.41
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
S1PR1 P21453 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3981837 0.91 RAB9A (0.47) PARP1PARP2RAB9ASMN1; SMN2HRH3
SCHEMBL3985243 0.89 RAB9A (0.50) PARP1RAB9ASMN1; SMN2CHUKINSR
SCHEMBL17211629 0.82 MAPT (0.47) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL3989624 0.82 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1
SCHEMBL3984696 0.82 RAB9A (0.48) PARP1RAB9ASMN1; SMN2CHUKINSR
SCHEMBL15774669 0.81 RAB9A (0.44) RAB9ASMN1; SMN2CHUKNPC1LMNA
SCHEMBL15774584 0.80 RAB9A (0.43) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL3987365 0.79 MAPT (0.49) RAB9ASMN1; SMN2NPC1LMNAKMT2A
SCHEMBL28031534 0.79 MAPT (0.45) RAB9ASMN1; SMN2NPC1LMNAPOLB
SCHEMBL3988035 0.79 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2LMNAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 PARP1 1160/4885PARP2 1740/4885RAB9A 3528/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PARP1 1564/4885PARP2 2150/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PARP1 1564/4885PARP2 2150/4885RAB9A 2543/4885

“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.