SCHEMBL541080

SCHEMBL541080

[N]c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 13/20 0.59
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5992360 0.78 VCAM1 (0.60) VCAM1TDP1TSHRMAPK1
SCHEMBL358730 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL29394047 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL2461199 0.77 VCAM1 (0.58) VCAM1TDP1TSHRMAPK1
Dinitrochlorobenzene SCHEMBL29349476 0.77 HSD17B10 (0.69) VCAM1TDP1TSHRMAPK1HSD17B10
Ammonia Solution, Strong SCHEMBL28805237 0.77 MAPK1 (0.67) VCAM1TDP1TSHRMAPK1
Dinitrochlorobenzene SCHEMBL39251 0.77 HSD17B10 (0.69) VCAM1TDP1TSHRMAPK1HSD17B10
Dinitrochlorobenzene SCHEMBL20472381 0.77 HSD17B10 (0.69) VCAM1TDP1TSHRMAPK1HSD17B10
SCHEMBL14924313 0.75 VCAM1 (0.56) VCAM1TDP1TSHRMAPK1NPBWR1
SCHEMBL539833 0.75 VCAM1 (0.56) VCAM1TDP1TSHRMAPK1NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP disclosed
CN-101490014-B A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2011-12-14 CN disclosed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US disclosed
CN-101490014-A A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI AVENTIS (FR) 2009-07-22 CN disclosed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP 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 (1 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-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 VCAM1 4666/4885TDP1 2194/4885TSHR 1289/4885

“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.