SCHEMBL3000355

SCHEMBL3000355

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=N)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.52
PARP10 Q53GL7 1/20 0.47
SMO Q99835 6/20 0.42
MAPK14 Q16539 5/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
ADAMTS4 O75173 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2999518 0.90 ALOX5AP (0.51) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL708520 0.90 ALOX5AP (0.58) ALOX5APPARP10SMOMAPK14MAOB
SCHEMBL2248223 0.83 ALOX5AP (0.55) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL2999279 0.83 PARP10 (0.57) ALOX5APPARP10SMOMAPK14ALDH1A1
SCHEMBL2996721 0.83 ALOX5AP (0.52) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL3002712 0.83 PARP10 (0.48) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL3000832 0.83 ALOX5AP (0.56) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL3000149 0.83 ALOX5AP (0.56) ALOX5APPARP10SMOMAPK14KDM4E
SCHEMBL14008636 0.82 ALOX5AP (0.53) ALOX5APPARP10SMOMAPK14SMN1; SMN2
SCHEMBL3002224 0.82 ALOX5AP (0.59) ALOX5APPARP10SMOMAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885PARP10 1048/4885SMO 2133/4885

“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.