SCHEMBL2989774

SCHEMBL2989774

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
ALOX5 P09917 1/20 0.47
MAPK14 Q16539 4/20 0.46
SMO Q99835 4/20 0.46
DRD4 P21917 1/20 0.46
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A5 Q9Y345 2/20 0.44

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
SCHEMBL2986509 0.93 ALOX5 (0.46) PARP10ALOX5MAPK14SMODRD4
SCHEMBL3000605 0.89 DRD4 (0.49) DRD4SLC6A5
SCHEMBL3000342 0.89 HPGDS (0.53) DRD4SLC6A5
SCHEMBL2995598 0.89 USP30 (0.47) DRD4MEN1KMT2A
SCHEMBL3000230 0.89 SLC6A5 (0.58) DRD4SLC6A5
SCHEMBL2986740 0.87 PARP10 (0.57) PARP10MAPK14SMOHPGDHSD17B10
SCHEMBL3000321 0.86 ALOX5AP (0.52) PARP10MAPK14SMODRD4HPGD
SCHEMBL2993276 0.85 PARP10 (0.52) PARP10ALOX5MAPK14SMODRD4
SCHEMBL2997269 0.84 ALOX5 (0.52) PARP10ALOX5MAPK14SMODRD4
SCHEMBL2993319 0.84 CHRNA7 (0.48) MEN1KMT2A

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 PARP10 1048/4885ALOX5 1/4885MAPK14 2199/4885

“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.