SCHEMBL832105

SCHEMBL832105

CC1Cn2c(nc3ccc(NC(=O)c4cc5cc(F)ccc5n4Cc4cccc(F)c4)cc32)CN1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.41
F10 P00742 4/20 0.40
ABCB1 P08183 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
RPS6KA3 P51812 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL831603 0.86 ECE1 (0.41) ECE1F10ABCB1PTGDR2RPS6KA3
SCHEMBL833601 0.80 ECE1 (0.42) ECE1F10ABCB1PTGDR2RPS6KA3
SCHEMBL3122827 0.79 RPS6KA2 (0.43) ECE1F10ABCB1PTGDR2MAOB
Hydrochloric Acid SCHEMBL831895 0.78 RPS6KA2 (0.42) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3158981 0.77 ECE1 (0.47) ECE1F10PTGDR2MAOB
SCHEMBL3150006 0.77 MAOB (0.49) ECE1F10MAOB
SCHEMBL833715 0.77 RAB9A (0.47) ECE1F10ABCB1
SCHEMBL3148861 0.77 MAOB (0.50) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL3153583 0.77 ECE1 (0.48) ECE1F10ABCB1PTGDR2MAOB
SCHEMBL829962 0.76 RAB9A (0.50) ECE1F10ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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 (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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 ECE1 2537/4885F10 3033/4885ABCB1 60/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ECE1 2453/4885F10 3105/4885ABCB1 45/4885

“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.