SCHEMBL1097180

SCHEMBL1097180

COc1ccc(C2=NOC(CNC(=O)c3ccc(Cl)s3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MIF P14174 6/20 0.57
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL1096410 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MIFLMNA
SCHEMBL1096035 0.89 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MIFCYP1A2
SCHEMBL1101328 0.89 F10 (0.46) RAB9ANPC1SMN1; SMN2MIF
SCHEMBL1096474 0.89 NPC1 (0.52) RAB9ANPC1CYP1A2KMT2A
SCHEMBL1095899 0.88 F10 (0.49) RAB9ANPC1SMN1; SMN2MIFLMNA
SCHEMBL1097019 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MIF
SCHEMBL1096512 0.88 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MIFLMNA
SCHEMBL1002307 0.87 F10 (0.46) RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1095450 0.87 F10 (0.48) RAB9ANPC1SMN1; SMN2
SCHEMBL1095755 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MIFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 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-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 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
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885SMN1; SMN2 4168/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885SMN1; SMN2 4168/4885

“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.