SCHEMBL2246698

SCHEMBL2246698

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ SYK P43405 8/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ SMO Q99835 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 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
Ammonia Solution, Strong SCHEMBL2996101 0.87 ADAMTS4 (0.42) DHODHHPGDALOX5APPDE10AKDM4E
Ammonia Solution, Strong SCHEMBL3005507 0.83 ALOX5AP (0.54) DHODHALOX5APPDE10AKDM4EALDH1A1
SCHEMBL13248543 0.82 DHODH (0.43) DHODHHPGDALOX5APPDE10AKDM4E
SCHEMBL3002189 0.82 ALOX5AP (0.43) DHODHHPGDALOX5APPDE10AKDM4E
SCHEMBL13902771 0.81 KMT2A (0.53) ALDH1A1CYP2C9
SCHEMBL2990587 0.79 ALDH1A1 (0.53) DHODHPDE10AALDH1A1
SCHEMBL2997210 0.78 HPGD (0.42) DHODHHPGDALOX5APPDE10AKDM4E
SCHEMBL13248546 0.78 PARP10 (0.49) HPGDALOX5APKDM4EALDH1A1SMN1; SMN2
SCHEMBL2244348 0.78 SYK (0.41) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL2994531 0.77 ALOX5AP (0.49) HPGDALOX5APPDE10AKDM4EALDH1A1

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 12 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
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
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 DHODH 424/4885HPGD 196/4885ALOX5AP 10/4885
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B DHODH 424/4885HPGD 196/4885ALOX5AP 10/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B DHODH 815/4885HPGD 223/4885ALOX5AP 15/4885

“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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