SCHEMBL3310672

SCHEMBL3310672

COc1cc(C(=O)N(C)Cc2ccc(F)cc2)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
HSD11B1 P28845 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RIPK1 Q13546 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3312829 0.89 MAPT (0.39) HSD17B1HSD17B2MAPTGAAHPGD
SCHEMBL3316087 0.83 MAP4K1 (0.38) MAPTHPGDLMNAKMT2AL3MBTL1
SCHEMBL3310183 0.83 KCNH2 (0.37) HSD17B1HSD17B2HPGDROCK2ROCK1
SCHEMBL3311118 0.82 CYP3A4 (0.35) HSD17B1HSD17B2GAAALDH1A1L3MBTL1
SCHEMBL2350724 0.78 NAPRT (0.43) HPGDALDH1A1LMNAL3MBTL1CYP3A4
SCHEMBL2349673 0.77 CYP1A1 (0.37) HPGDLMNAL3MBTL1CYP3A4
SCHEMBL3309863 0.77 ROCK2 (0.41) HSD17B1HSD17B2CRHBPCRHR2KMT2A
SCHEMBL3310488 0.76 CYP3A4 (0.39) HSD17B1HSD17B2GAAHPGDALDH1A1
SCHEMBL2354432 0.76 KDM4E (0.40) MAPTGAAHPGDALDH1A1LMNA
SCHEMBL2362083 0.75 PLK1 (0.38) HSD17B1MAPTGAAHPGDALDH1A1

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-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US claimed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US claimed

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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B HSD17B1 1614/4885HSD17B2 2455/4885HSD11B1 1977/4885

“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.