SCHEMBL2250280

SCHEMBL2250280

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
ALOX5AP P20292 1/20 0.47
RAB9A P51151 3/20 0.47
ADAMTS4 O75173 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
MAPK14 Q16539 3/20 0.45
SMO Q99835 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOB P27338 1/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.43

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 1.00 PARP10 (0.55) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL480272 0.90 PARP10 (0.49) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL13248357 0.89 PARP10 (0.51) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL2251349 0.88 PARP10 (0.57) PARP10KDM4EADAMTS4MAPK14SMO
SCHEMBL2992851 0.88 PARP10 (0.57) PARP10KDM4ERAB9AADAMTS4SMN1; SMN2
SCHEMBL1732629 0.88 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL30320388 0.88 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL2986740 0.88 PARP10 (0.57) PARP10MAPTADAMTS4MEN1KMT2A
SCHEMBL2253252 0.87 PARP10 (0.74) PARP10KDM4EADAMTS4MAPK14SMO
SCHEMBL2990444 0.85 PARP10 (0.54) PARP10KDM4EADAMTS4MAPK14SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 US disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 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 (3 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-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B PARP10 491/4885MAPT 4853/4885KDM4E 2100/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B PARP10 491/4885MAPT 4853/4885KDM4E 2100/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B PARP10 1048/4885MAPT 4788/4885KDM4E 2671/4885

“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.