SCHEMBL15536657

SCHEMBL15536657

COc1cc(C=CN(C)C)c([N+](=O)[O-])cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 2/20 0.35
PIN1 Q13526 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TXNRD1 Q16881 3/20 0.33
MEN1 O00255 2/20 0.33
PABPC1 P11940 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL15536656 1.00 ERN1 (0.42) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL28187916 0.84 MAPT (0.42) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10179458 0.83 MAPT (0.35) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29709737 0.83 MAPT (0.35) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10179459 0.83 MAPT (0.35) ERN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1414171 0.82 PIN1 (0.43) ALDH1A1MAPTCYP19A1PIN1MEN1
SCHEMBL1414175 0.82 PIN1 (0.43) ALDH1A1MAPTCYP19A1PIN1MEN1
SCHEMBL26690214 0.81 MAPT (0.36) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL586888 0.80 MAPT (0.40) ALDH1A1MAPTPIN1MEN1KMT2A
SCHEMBL31161596 0.80 ALDH1A1 (0.35) ALDH1A1MAPTCYP3A4PIN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MERCK SHARPE & DOHME CORP. 2015-11-26 US disclosed
EP-2855477-A1 ISOTOPICALLY LABELED BIARYL UREA COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-04-08 EP disclosed
WO-2013181075-A1 ISOTOPICALLY LABELED BIARYL UREA COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-12-05 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-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MAPT, SLC14A1, UBTF ERN1 2670/4885ALDH1A1 2226/4885MAPT 1/4885

“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.