SCHEMBL2992095

SCHEMBL2992095

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC23CCN(CC2)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.45
SMO Q99835 7/20 0.42
MAPK14 Q16539 7/20 0.42
FAAH O00519 1/20 0.42
CNR2 P34972 1/20 0.42
CYP2C9 P11712 2/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2986740 0.82 PARP10 (0.57) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL2989774 0.81 PARP10 (0.50) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL3001469 0.81 PARP10 (0.50) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL2994675 0.80 CHRNA7 (0.48) MEN1KMT2A
SCHEMBL2993319 0.80 CHRNA7 (0.48) MEN1KMT2A
SCHEMBL12356701 0.79 PARP10 (0.55) PARP10SMOMAPK14HPGDMEN1
SCHEMBL2250280 0.79 PARP10 (0.55) PARP10SMOMAPK14HPGDMEN1
SCHEMBL2251349 0.79 PARP10 (0.57) PARP10SMOMAPK14HPGD
SCHEMBL2992851 0.79 PARP10 (0.57) PARP10HTT
SCHEMBL3093380 0.78 PARP10 (0.55) PARP10SMOMAPK14HPGDHSD17B10

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-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
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B PARP10 1048/4885SMO 2133/4885MAPK14 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.