SCHEMBL2992051

SCHEMBL2992051

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cn3nc(Cl)ccc3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ SMO Q99835 2/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ F2RL3 Q96RI0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL3091208 0.79 TP53 (0.42) MAPK14SMOALOX5APHPGDADAMTS4
SCHEMBL2994401 0.77 RAB9A (0.55) HPGDALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL2996124 0.76 KMT2A (0.47) HPGDADAMTS4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3002623 0.76 KDM4E (0.42) PDE10AMAPK14SMOALOX5APHPGD
SCHEMBL3000545 0.75 SMN1; SMN2 (0.50) MAPK14SMOALOX5APHPGDADAMTS4
SCHEMBL2997210 0.74 HPGD (0.42) PDE10AMAPK14SMOALOX5APHPGD
SCHEMBL3002189 0.74 ALOX5AP (0.43) PDE10AMAPK14SMOALOX5APHPGD
SCHEMBL2994531 0.74 ALOX5AP (0.49) PDE10AMAPK14SMOALOX5APHPGD
SCHEMBL2994348 0.73 ALOX5AP (0.41) PDE10AMAPK14SMOALOX5APADAMTS4
SCHEMBL2999919 0.73 CYP1A2 (0.40) PDE10AALOX5APHPGDADAMTS4ALDH1A1

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 2 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

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 PDE10A 1312/4885MAPK14 2199/4885SMO 2133/4885

“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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