SCHEMBL1336596

SCHEMBL1336596

N#Cc1cc(OCc2c(F)ccc(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.43
MAPT P10636 4/20 0.40
TRPV4 Q9HBA0 2/20 0.38
AKR1B1 P15121 1/20 0.37
MERTK Q12866 1/20 0.36
MAOB P27338 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1335673 0.80 ATM (0.42) VCAM1MAPTTRPV4MAOBALDH1A1
SCHEMBL1336697 0.79 MAOB (0.40) TRPV4MAOBMRGPRX4MAOAKDM4E
SCHEMBL1334132 0.78 MAOB (0.45) VCAM1MAPTTRPV4MAOBMRGPRX4
SCHEMBL1335644 0.75 MAOB (0.52) MAOBMRGPRX4MAOA
SCHEMBL1336543 0.75 MAOB (0.65) MAPTMAOBMRGPRX4MAOA
SCHEMBL28017764 0.75 MAPT (0.56) VCAM1MAPTMERTKALDH1A1LMNA
SCHEMBL28017803 0.75 MAPT (0.53) VCAM1MAPTMERTKALDH1A1LMNA
SCHEMBL8389877 0.73 VCAM1 (0.56) VCAM1MAPTMERTKALDH1A1LMNA
SCHEMBL11152881 0.73 VCAM1 (0.44) VCAM1MERTKALDH1A1
SCHEMBL9072647 0.72 MAPT (0.60) VCAM1MAPTALDH1A1LMNA

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
EP-2373626-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-24 EP disclosed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US disclosed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 US disclosed
EP-2373626-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010069966-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 WO 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-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 VCAM1 3270/4885MAPT 2440/4885TRPV4 4272/4885

“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.