SCHEMBL5035408

SCHEMBL5035408

O=C(O)c1n[nH]c(-c2ccccn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.59
F12 P00748 2/20 0.59
PLAU P00749 1/20 0.59
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALPL P05186 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PIN1 Q13526 1/20 0.53
KDM4E B2RXH2 3/20 0.51
BTK Q06187 1/20 0.50
NOTUM Q6P988 1/20 0.46
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL17323238 0.86 NPC1 (0.57) F2F12PLAUNPC1RAB9A
SCHEMBL19675588 0.82 NPC1 (0.53) F2F12PLAUNPC1RAB9A
SCHEMBL17321504 0.82 NPC1 (0.53) F2F12PLAUNPC1RAB9A
SCHEMBL2800393 0.82 F2 (0.58) F2F12PLAUNPC1RAB9A
SCHEMBL2787324 0.78 NPC1 (0.76) F2F12PLAUNPC1RAB9A
SCHEMBL5035110 0.78 NR1H2 (0.55) F2F12NPC1RAB9ASMN1; SMN2
SCHEMBL31331972 0.77 NPC1 (0.69) F2F12PLAUNPC1RAB9A
SCHEMBL21777016 0.76 SMN1; SMN2 (0.66) F2F12PLAUNPC1RAB9A
SCHEMBL8311588 0.74 SMN1; SMN2 (1.00) F2F12PLAUNPC1RAB9A
SCHEMBL2251038 0.73 NPC1 (1.00) F2F12PLAUNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628971-B1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-05-07 EP disclosed
US-7223780-B2 Triazole-derivatives as blood clotting enzyme factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1628971-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP disclosed
US-20050009827-A1 Carboxamide derivatives of 1,2,3- and 1,2,4-triazoles and 1H- and 2H-tetrazoles, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-pyrrol-1-yl-1H-[1,2,4]triazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
WO-2004101555-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479679-A1 Triazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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 (1 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-20050009827-A1 Carboxamide derivatives of 1,2,3- and 1,2,4-triazoles and 1H- and 2H-tetrazoles, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-pyrrol-1-yl-1H-[1,2,4]triazole-3-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide TFPI, F11, TFPI2 F2 4/4885F12 8/4885PLAU 101/4885

“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.