SCHEMBL830392

SCHEMBL830392

O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cccnc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
MAPK1 P28482 5/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 3/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
APP P05067 4/20 0.46
ACHE P22303 3/20 0.46
BACE1 P56817 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43

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
SCHEMBL831742 0.97 TP53 (0.51) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL831297 0.88 MAPT (0.46) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL832460 0.86 MAPT (0.45) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL832608 0.83 TP53 (0.47) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL831020 0.82 MAPT (0.41) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL833860 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL833715 0.78 RAB9A (0.47) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL832828 0.78 APP (0.44) ALDH1A1MAPTMAPK1KDM4EUSP2
SCHEMBL2813981 0.77 HTR2B (0.48) ALDH1A1MAPTKDM4EHTTTP53
SCHEMBL840563 0.76 TP53 (0.49) ALDH1A1MAPTMAPK1USP2TP53

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 ALDH1A1 453/4885MAPT 3000/4885MAPK1 4560/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ALDH1A1 484/4885MAPT 3347/4885MAPK1 4651/4885

“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.