SCHEMBL3983330

SCHEMBL3983330

NC(=O)c1cc(-c2cccc(-c3cccnc3)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
MKNK1 Q9BUB5 11/20 0.51
MKNK2 Q9HBH9 11/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
NAMPT P43490 1/20 0.47
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 1/20 0.46
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
USP30 Q70CQ3 1/20 0.44
BRAF P15056 1/20 0.43
RET P07949 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL30516607 0.93 CYP2E1 (0.57) MKNK1MKNK2CYP2E1CYP2A6CYP2C9
SCHEMBL6872027 0.93 CYP2E1 (0.57) MKNK1MKNK2CYP2E1CYP2A6CYP2C9
SCHEMBL3986274 0.90 MKNK1 (0.57) MKNK1MKNK2CYP2E1CYP2A6CYP2C9
SCHEMBL3988485 0.86 RAB9A (0.43) MKNK2PIM1MEN1USP30KMT2A
SCHEMBL370074 0.80 CYP2E1 (0.55) KMOMKNK1MKNK2CYP2E1CYP2A6
SCHEMBL30516614 0.80 CYP2E1 (0.55) KMOMKNK1MKNK2CYP2E1CYP2A6
SCHEMBL23930645 0.79 CYP2A6 (0.54) KMOCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3989808 0.79 RAB9A (0.47) MEN1KMT2ARXFP1
SCHEMBL368446 0.79 CYP2C9 (0.54) KMOMKNK1MKNK2CYP2E1CYP2A6
SCHEMBL3985673 0.78 RAB9A (0.64) CYP2C9CYP2C19MEN1KMT2A

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 11 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
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
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 KMO 778/4885MKNK1 3512/4885MKNK2 3410/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KMO 748/4885MKNK1 4374/4885MKNK2 4325/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 KMO 748/4885MKNK1 4374/4885MKNK2 4325/4885

“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.