SCHEMBL1005085

SCHEMBL1005085

N=C1OCCN1c1ccc(C2=NOC(CNC(=O)c3ccc(Cl)s3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.57
F2 P00734 3/20 0.51
ABCB11 O95342 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL3990603 0.87 F10 (0.43) F10F2ABCB11ST14
SCHEMBL1095850 0.86 F10 (0.70) F10F2ABCB11ST14
SCHEMBL1095472 0.85 F10 (0.65) F10F2ABCB11ST14
SCHEMBL1096482 0.85 F10 (0.59) F10F2ABCB11ST14
SCHEMBL1095489 0.84 F10 (0.69) F10F2ABCB11ST14
SCHEMBL1096537 0.83 F10 (0.65) F10F2ABCB11ST14
SCHEMBL1096387 0.83 F10 (0.51) F10F2ABCB11ST14
SCHEMBL1095450 0.83 F10 (0.48) F10
SCHEMBL1096474 0.83 NPC1 (0.52) F10
SCHEMBL1096000 0.83 F10 (0.53) F10F2ABCB11ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
WO-2007137792-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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 (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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF F2, VKORC1, HMBS F10 104/4885F2 1/4885ABCB11 512/4885

“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.