SCHEMBL3983068

SCHEMBL3983068

COc1cc(C(=N)N2CCCCC2)ccc1-c1cc(C(N)=O)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
DUSP3 P51452 2/20 0.38
PTPN7 P35236 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3990327 0.99 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3989829 0.89 MAPT (0.41) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3988501 0.89 HPGD (0.42) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL3981447 0.89 MKNK1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3990057 0.88 MKNK1 (0.37) ALDH1A1KMT2AMEN1MKNK1MKNK2
SCHEMBL3984485 0.88 HPGD (0.43) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL3989729 0.86 SCD (0.39) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL3990035 0.84 ACKR3 (0.43) NPC1LMNA
SCHEMBL4274129 0.84 AR (0.39) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL3983025 0.84 SCD (0.34) SMN1; SMN2NPC1RAB9AHPGDLMNA

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 SMN1; SMN2 4569/4885NPC1 1087/4885RAB9A 3528/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885NPC1 887/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885NPC1 887/4885RAB9A 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.