SCHEMBL1106529

SCHEMBL1106529

[C-]#[N+]c1ccc(C2=NOC(CNC(=O)c3ccc(Cl)s3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.44
MIF P14174 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1096474 0.89 NPC1 (0.52) F10NPC1RAB9A
SCHEMBL1095450 0.87 F10 (0.48) F10NPC1RAB9ASMN1; SMN2
SCHEMBL1101328 0.87 F10 (0.46) F10MIFNPC1RAB9AHDAC6
SCHEMBL1002307 0.87 F10 (0.46) F10NPC1RAB9ASMN1; SMN2
SCHEMBL1096472 0.86 F10 (0.55) F10
SCHEMBL1096286 0.86 F10 (0.48) F10MIFNPC1RAB9A
SCHEMBL1095599 0.86 F10 (0.47) F10NPC1RAB9A
SCHEMBL1095841 0.84 F10 (0.46) F10NPC1RAB9ASMN1; SMN2
SCHEMBL1097180 0.84 RAB9A (0.60) MIFNPC1RAB9ASMN1; SMN2
SCHEMBL1096261 0.83 F10 (0.50) F10

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 3 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 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

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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885MIF 997/4885NPC1 887/4885

“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.