SCHEMBL3002623

SCHEMBL3002623

Cn1ncc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX5AP P20292 1/20 0.42
▸ AOC3 Q16853 2/20 0.41
▸ ADAMTS4 O75173 1/20 0.39
▸ SYK P43405 4/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK14 Q16539 5/20 0.37
▸ SMO Q99835 5/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL2994348 0.88 ALOX5AP (0.41) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2246846 0.81 NPC1 (0.53) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2986838 0.80 MAP4K3 (0.37) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL13248437 0.80 MAP4K3 (0.37) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2999919 0.80 CYP1A2 (0.40) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2997210 0.80 HPGD (0.42) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL3002189 0.79 ALOX5AP (0.43) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2994531 0.79 ALOX5AP (0.49) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL2990181 0.78 MAPK14 (0.54) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4
SCHEMBL3001615 0.78 MAOB (0.42) KDM4EALDH1A1SMN1; SMN2ALOX5APADAMTS4

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 4 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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP 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 KDM4E 2671/4885ALDH1A1 159/4885SMN1; SMN2 4219/4885

“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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