SCHEMBL1335728

SCHEMBL1335728

N#Cc1cc(OCc2cccc(Oc3ccccc3)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
FFAR1 O14842 8/20 0.49
FFAR4 Q5NUL3 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
MAOA P21397 1/20 0.43
IMPDH2 P12268 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL1336597 0.94 MAOB (0.56) MAOBFFAR1MRGPRX4MEN1NPC1
SCHEMBL1336397 0.92 MAOB (0.56) MAOBFFAR1FFAR4MEN1NPC1
SCHEMBL1336543 0.89 MAOB (0.65) MAOBMRGPRX4MEN1NPC1RAB9A
SCHEMBL1333357 0.87 KDM4E (0.47) FFAR1MEN1KMT2ATLR4TLR2
SCHEMBL1334205 0.87 KDM4E (0.47) FFAR1MEN1KMT2ATLR4TLR2
SCHEMBL1335644 0.84 MAOB (0.52) MAOBMRGPRX4MAOA
SCHEMBL11475898 0.81 MERTK (0.48) MEN1KMT2A
SCHEMBL18956955 0.80 MAPT (0.48) FFAR1FFAR4MRGPRX4MEN1KMT2A
SCHEMBL29851609 0.80 MAPT (0.48) FFAR1FFAR4MRGPRX4MEN1KMT2A
SCHEMBL1336515 0.80 MAOB (0.58) MAOBFFAR1FFAR4MRGPRX4MAOA

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 MAOB 2699/4885FFAR1 3547/4885FFAR4 3932/4885

“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.