SCHEMBL2993323

SCHEMBL2993323

CC(C)(N)c1nc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.43
▸ HDAC1 Q13547 9/20 0.41
▸ HDAC6 Q9UBN7 9/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ HDAC5 Q9UQL6 7/20 0.40
▸ AOC3 Q16853 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ SYK P43405 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38

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
SCHEMBL2990118 0.90 HPGDS (0.44) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL2994400 0.87 RAB9A (0.43) PARP10AOC3ALDH1A1MAPTNPC1
SCHEMBL14562670 0.86 HDAC1 (0.42) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL3003924 0.85 ALOX5AP (0.49) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL3005541 0.85 ADAMTS4 (0.43) PARP10ALOX5ALOX5APADAMTS4
SCHEMBL3106370 0.84 MAPT (0.48) PARP10ALDH1A1MAPTNPC1CASP3
SCHEMBL709386 0.79 ALOX5AP (0.56) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL706788 0.79 ALOX5AP (0.56) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL13248546 0.77 PARP10 (0.49) PARP10ALDH1A1MAPTRAB9ASYK
SCHEMBL2253252 0.77 PARP10 (0.74) PARP10ALDH1A1HPGDALOX5ADAMTS4

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 6 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
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
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
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 PARP10 1048/4885HDAC1 1573/4885HDAC6 2030/4885

“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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