SCHEMBL830582

SCHEMBL830582

O=[N+]([O-])c1ccc2nc3n(c2c1)CCNC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL839548 0.90 MAPT (0.62) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL4459931 0.78 MAPT (0.51) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL830827 0.78 ALDH1A1 (0.46) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL19134170 0.76 PNMT (0.43) PNMT
SCHEMBL12476746 0.76 KDM4E (0.40) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31164767 0.76 HTR2A (0.56) ALDH1A1HTR3EHTR3BCYP1A2CYP2C19
SCHEMBL833058 0.76 PNMT (0.46) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL10465773 0.74 ALDH1A1 (0.43) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL839815 0.72 HTR2A (0.50) HTR3A
Hydrochloric Acid SCHEMBL20139551 0.71 HTR2A (0.49) HTR3AMAPT

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 453/4885HTR3E 1416/4885HTR3B 1085/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ALDH1A1 484/4885HTR3E 1572/4885HTR3B 1370/4885

“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.