SCHEMBL2248075

SCHEMBL2248075

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.39
▸ CYP19A1 P11511 4/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TNFRSF1A P19438 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SYK P43405 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL13248369 0.89 KDM4C (0.47) ALOX5APADAMTS4ALDH1A1CYP2C9HPGD
SCHEMBL2244348 0.88 SYK (0.41) ALOX5APCYP19A1ADAMTS4ALDH1A1SMN1; SMN2
SCHEMBL13902762 0.87 SYK (0.40) ALOX5APCYP19A1ADAMTS4ALDH1A1SMN1; SMN2
SCHEMBL2250272 0.85 ALOX5AP (0.52) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2245019 0.81 NPC1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2995823 0.78 MAOB (0.45) ADAMTS4ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL2246846 0.78 NPC1 (0.53) ALOX5APCYP19A1ADAMTS4ALDH1A1SMN1; SMN2
SCHEMBL2994531 0.77 ALOX5AP (0.49) ALOX5APADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2242925 0.76 ADAMTS4 (0.42) CYP19A1ADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2246698 0.76 DHODH (0.41) 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 13 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
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 — — EP claimed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 — — WO claimed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 — — 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 10/4885CYP19A1 503/4885ADAMTS4 576/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B ALOX5AP 10/4885CYP19A1 503/4885ADAMTS4 576/4885

“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.

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