SCHEMBL3979795

SCHEMBL3979795

CSc1cc(C(=N)N(C)C)ccc1-c1cc(C(N)=O)on1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30

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
SCHEMBL3989082 0.84 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AGAAMEN1NPC1
SCHEMBL3981771 0.82 MKNK1 (0.40) SMN1; SMN2RAB9AGAACYP1A2HPGD
SCHEMBL3980198 0.81 AR (0.37) ARRAB9AGAAMEN1NPC1
SCHEMBL4274129 0.80 AR (0.39) ARSMN1; SMN2RAB9AMEN1NPC1
SCHEMBL3985563 0.79 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMEN1NPC1CYP1A2
SCHEMBL3982396 0.79 F10 (0.37) SMN1; SMN2RAB9ACYP1A2CYP2C19
SCHEMBL3990032 0.79 MAPK1 (0.40) SMN1; SMN2RAB9ATPSAB1TPSD1TPSG1
SCHEMBL3990122 0.78 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AGAAMEN1NPC1
SCHEMBL3984173 0.77 F10 (0.44) SMN1; SMN2MEN1NPC1CYP1A2HPGD
SCHEMBL3986288 0.77 CYP1A2 (0.42) SMN1; SMN2RAB9AGAAMEN1CYP1A2

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 AR 3680/4885SMN1; SMN2 4569/4885RAB9A 3528/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 AR 3709/4885SMN1; SMN2 4168/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 AR 3709/4885SMN1; SMN2 4168/4885RAB9A 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.