SCHEMBL2994400

SCHEMBL2994400

Cc1nc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ AOC3 Q16853 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.40
▸ SYK P43405 4/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39

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
SCHEMBL2993323 0.87 PARP10 (0.43) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3106370 0.87 MAPT (0.48) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2990118 0.87 HPGDS (0.44) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2988831 0.84 ALOX5AP (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3005541 0.83 ADAMTS4 (0.43) SMN1; SMN2PARP10ALOX5ALOX5APADAMTS4
SCHEMBL2990587 0.78 ALDH1A1 (0.53) ALDH1A1DHODH
SCHEMBL13902771 0.78 KMT2A (0.53) RAB9ANPC1ALDH1A1L3MBTL1LMNA
SCHEMBL13248546 0.77 PARP10 (0.49) RAB9ASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL2246846 0.77 NPC1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1PARP10
SCHEMBL2994531 0.77 ALOX5AP (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 4316/4885NPC1 603/4885CASP3 505/4885

“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.

Send feedback