SCHEMBL832764

SCHEMBL832764

O=C(Nc1ccc2c(c1)nc1ccccn12)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.46
F10 P00742 4/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CCR2 P41597 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL829860 0.90 SMN1; SMN2 (0.43) ECE1MAOBSMN1; SMN2CCR2PTGDR2
SCHEMBL832765 0.88 ECE1 (0.44) ECE1F10MAOBSMN1; SMN2CCR2
SCHEMBL3126129 0.83 MAOB (0.48) ECE1F10MAOBCCR2PTGDR2
SCHEMBL3148861 0.83 MAOB (0.50) ECE1F10MAOBSMN1; SMN2CCR2
Hydrochloric Acid SCHEMBL831780 0.82 MAOB (0.47) ECE1F10MAOBCCR2PTGDR2
SCHEMBL3153127 0.82 RAB9A (0.60) ECE1F10SMN1; SMN2PTGDR2
SCHEMBL3158017 0.81 MAOB (0.47) ECE1F10MAOBCCR2PTGDR2
SCHEMBL3150066 0.80 NPC1 (0.52) ECE1F10MAOBSMN1; SMN2PTGDR2
SCHEMBL833415 0.80 MAOB (0.45) ECE1F10MAOBCCR2PTGDR2
SCHEMBL973614 0.80 ECE1 (0.47) ECE1F10CCR2PTGDR2

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 3033/4885MAOB 117/4885
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 3105/4885MAOB 126/4885

“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.