SCHEMBL5201276

SCHEMBL5201276

Nc1c(N=O)c(-c2ccccc2)nn1CCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
PTGIR P43119 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL1801451 0.80 ESR1 (0.43) ESR1ALDH1A1HSD17B10ALOX15NR1I2
SCHEMBL5201246 0.77 MAPT (0.47) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL15656520 0.72 ALDH1A1 (0.44) ESR1ALDH1A1RAB9AHSD17B10ALOX15
SCHEMBL5200953 0.72 HTT (0.42) KMT2AALDH1A1
SCHEMBL18740054 0.71 MAPK1 (0.55) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL11168658 0.69 SMN1; SMN2 (0.47) ALDH1A1HSD17B10ALOX15PTGIR
SCHEMBL13858547 0.69 CA1 (0.48) MEN1KMT2AALDH1A1RAB9AHSD17B10
SCHEMBL1720030 0.69 POLB (0.66) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL4708836 0.68 CSF1R (0.70) MEN1KMT2AALOX15TSHR
SCHEMBL6004377 0.67 KDM4E (0.43) MEN1KMT2AALDH1A1HSD17B10PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed
WO-1992004349-A1 THERAPEUTIC AGENTS PFIZER LIMITED (GB) 1992-03-19 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 ESR1 3782/4885MEN1 4593/4885KMT2A 1914/4885

“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.