SCHEMBL13263176

SCHEMBL13263176

CCc1noc(C)c1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.50
HEXB P07686 1/20 0.50
BRD4 O60885 2/20 0.41
BRD2 P25440 2/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NPC1 O15118 9/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
DCTPP1 Q9H773 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
BRD3 Q15059 1/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 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
SCHEMBL27685077 0.83 SMN1; SMN2 (0.43) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL16746000 0.83 HEXA (0.41) HEXAHEXBBRD4BRD2PTGS1
SCHEMBL9973964 0.80 ERN1 (0.39) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL9973963 0.80 PTGS1 (0.38) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL28190146 0.78 BRD4 (0.60) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL9973966 0.72 ALDH1A1 (0.46) SMN1; SMN2TDP1L3MBTL1GAAMEN1
SCHEMBL9973965 0.72 BRD4 (0.47) BRD4PTGS1PTGS2ATMALDH1A1
SCHEMBL8475216 0.70 HEXA (0.39) HEXAHEXBBRD4BRD2PTGS1
SCHEMBL28064533 0.70 BRD4 (0.39) BRD4BRD2PTGS1PTGS2NPC1
SCHEMBL27944218 0.70 PDCD1 (0.41) BRD4BRD2PTGS1PTGS2NPC1

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
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 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-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP HEXA 936/4885HEXB 1192/4885BRD4 136/4885

“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.