SCHEMBL833715

SCHEMBL833715

O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
APP P05067 2/20 0.44
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
KDM1A O60341 1/20 0.43
TP53 P04637 6/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ECE1 P42892 1/20 0.43
NPC1 O15118 4/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ABCB1 P08183 1/20 0.43
USP2 O75604 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 4/20 0.42

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
SCHEMBL829962 0.97 RAB9A (0.50) RAB9AAPPKDM1ATP53MAPT
SCHEMBL832828 0.90 APP (0.44) RAB9AAPPACHEBCHEKDM1A
SCHEMBL1093742 0.89 RAB9A (0.41) RAB9AAPPACHEBCHETP53
SCHEMBL831540 0.87 LMNA (0.45) RAB9AAPPKDM1ATP53MAPT
SCHEMBL1094241 0.85 ABCB1 (0.44) RAB9AAPPTP53MAPTALDH1A1
SCHEMBL832026 0.85 TP53 (0.44) RAB9AAPPACHEBCHEKDM1A
SCHEMBL1094309 0.84 ECE1 (0.42) RAB9AAPPACHEBCHETP53
SCHEMBL1093932 0.84 PPARG (0.42) RAB9AMEN1KMT2AABCB1
SCHEMBL1093087 0.84 PPARG (0.43) RAB9AF10
SCHEMBL1093798 0.83 ECE1 (0.40) RAB9AAPPECE1MAPK1ABCB1

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 RAB9A 2495/4885APP 3658/4885ACHE 1656/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS RAB9A 2602/4885APP 3812/4885ACHE 1876/4885

“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.