SCHEMBL2995985

SCHEMBL2995985

CON(C)C(=O)c1ccc(C(c2ccc(OCc3ccccn3)cc2)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.51
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.41
SYK P43405 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
MAPK14 Q16539 3/20 0.41
SMO Q99835 3/20 0.41
PDE10A Q9Y233 2/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 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
SCHEMBL12356701 0.85 PARP10 (0.55) PARP10MAOBMEN1KMT2ANPC1
SCHEMBL2250280 0.85 PARP10 (0.55) PARP10MAOBMEN1KMT2ANPC1
SCHEMBL2992851 0.85 PARP10 (0.57) PARP10MAOBNPC1RAB9AKDM4E
SCHEMBL2251349 0.85 PARP10 (0.57) PARP10MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2253252 0.84 PARP10 (0.74) PARP10MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2986740 0.82 PARP10 (0.57) PARP10MEN1KMT2AALDH1A1ADAMTS4
SCHEMBL2990444 0.82 PARP10 (0.54) PARP10MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2992976 0.82 KMT2A (0.54) PARP10MAOBKMT2ANPC1RAB9A
SCHEMBL2992983 0.82 KMT2A (0.54) PARP10MAOBKMT2ANPC1RAB9A
SCHEMBL2989774 0.78 PARP10 (0.50) PARP10MEN1KMT2AMAPK14SMO

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 6 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
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 1048/4885MAOB 1032/4885MEN1 4664/4885

“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.