SCHEMBL2250272

SCHEMBL2250272

CCn1nnnc1-c1ccc(C(C)(c2ccc(OCc3ccccn3)cc2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.52
▸ ADAMTS4 O75173 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK14 Q16539 5/20 0.37
▸ SMO Q99835 5/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SYK P43405 5/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL2248350 0.88 ALOX5AP (0.54) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2248075 0.85 ALOX5AP (0.39) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2243764 0.81 ALOX5AP (0.53) ALOX5APSMN1; SMN2
SCHEMBL3002224 0.80 ALOX5AP (0.59) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14642215 0.80 ALOX5AP (0.56) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2991626 0.79 ALOX5AP (0.61) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2996699 0.78 ALOX5AP (0.58) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2245990 0.78 ALOX5AP (0.54) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2999380 0.78 ALOX5AP (0.66) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2997610 0.77 ALOX5AP (0.57) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US claimed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP claimed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US claimed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — WO claimed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 — — US disclosed
US-20110190346-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US disclosed
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 — — EP disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — WO disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 — — 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 (2 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 ALOX5AP 10/4885ADAMTS4 576/4885ALDH1A1 201/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885ADAMTS4 576/4885ALDH1A1 201/4885

“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.

Send feedback