SCHEMBL3312829

SCHEMBL3312829

COc1cc(C(=O)N(C)Cc2ccncc2)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
POLB P06746 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
TACR1 P25103 2/20 0.37
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MMP13 P45452 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTT P42858 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
SCHEMBL3310672 0.89 HSD17B1 (0.41) MAPTHSD17B1HSD17B2ROCK2ROCK1
SCHEMBL3316087 0.83 MAP4K1 (0.38) MAPTHPGDMEN1KMT2ACYP3A4
SCHEMBL3310183 0.83 KCNH2 (0.37) HSD17B1HSD17B2ROCK2ROCK1HPGD
SCHEMBL3311118 0.82 CYP3A4 (0.35) HSD17B1HSD17B2GAAALDH1A1KDM4E
SCHEMBL2350724 0.78 NAPRT (0.43) HPGDALDH1A1KDM4ECYP3A4
SCHEMBL2349673 0.77 CYP1A1 (0.37) HPGDCYP3A4
SCHEMBL3309863 0.77 ROCK2 (0.41) HSD17B1HSD17B2POLBROCK2ROCK1
SCHEMBL3310488 0.76 CYP3A4 (0.39) HSD17B1HSD17B2ROCK2ROCK1GAA
SCHEMBL2354432 0.76 KDM4E (0.40) MAPTPOLBGAAHPGDALDH1A1
SCHEMBL2362083 0.75 PLK1 (0.38) MAPTHSD17B1POLBGAAHPGD

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 MAPT 4442/4885HSD17B1 1614/4885HSD17B2 2455/4885

“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.