SCHEMBL1336397

SCHEMBL1336397

N#Cc1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
AR P10275 2/20 0.46
PTGES O14684 1/20 0.45
IMPDH2 P12268 1/20 0.44
MAPT P10636 4/20 0.44
FFAR1 O14842 3/20 0.44
BACE1 P56817 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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 0.93 MAOB (0.56) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL1336543 0.92 MAOB (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL1335728 0.92 MAOB (0.52) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL1334205 0.87 KDM4E (0.47) MEN1KMT2AMAPTFFAR1
SCHEMBL1333357 0.87 KDM4E (0.47) MEN1KMT2AMAPTFFAR1
SCHEMBL11475898 0.84 MERTK (0.48) MEN1KMT2AARMAPT
SCHEMBL23887905 0.82 MAOB (0.65) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL1657036 0.82 MAOB (0.82) MAOBRAB9AIMPDH2MAPTFFAR1
SCHEMBL5857806 0.81 MEN1 (0.58) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL5857250 0.81 MEN1 (0.58) MEN1KMT2ANPC1RAB9AATM

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 2699/4885MEN1 3284/4885KMT2A 1025/4885

“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.