SCHEMBL3093380

SCHEMBL3093380

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NNC(N)=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
SMO Q99835 7/20 0.46
MAPK14 Q16539 6/20 0.46
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CDK5 Q00535 1/20 0.42
PAX8 Q06710 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.42

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 0.89 PARP10 (0.57) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL2253252 0.86 PARP10 (0.74) PARP10SMOMAPK14HPGDSMN1; SMN2
SCHEMBL12356701 0.83 PARP10 (0.55) PARP10SMOMAPK14HPGDMEN1
SCHEMBL2250280 0.83 PARP10 (0.55) PARP10SMOMAPK14HPGDMEN1
SCHEMBL2251349 0.83 PARP10 (0.57) PARP10SMOMAPK14HPGDSMN1; SMN2
SCHEMBL2992851 0.83 PARP10 (0.57) PARP10NPC1RAB9ASMN1; SMN2ADAMTS4
SCHEMBL3001469 0.83 PARP10 (0.50) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL2989774 0.83 PARP10 (0.50) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL13248417 0.80 PARP10 (0.54) PARP10SMOMAPK14HPGDHSD17B10
SCHEMBL14562597 0.80 PARP10 (0.54) 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 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 1048/4885SMO 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.