SCHEMBL10126219

SCHEMBL10126219

COC(=O)CC(=O)c1cnc(C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ MMP2 P08253 1/20 0.36
▸ ROCK1 Q13464 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ USP2 O75604 1/20 0.32

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
SCHEMBL12983021 0.83 MMP2 (0.36) ALDH1A1MMP2GAAHPGDMGAM
SCHEMBL889052 0.82 BAZ2B (0.47) BAZ2BALDH1A1MMP2ROCK1HRH1
SCHEMBL4251404 0.78 MMP2 (0.50) BAZ2BMMP2ROCK1GAAPOLB
SCHEMBL23704476 0.74 BAZ2B (0.46) BAZ2BROCK1HRH1HRH4FDPS
SCHEMBL8818379 0.71 ALDH1A1 (0.47) BAZ2BALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL889025 0.71 — —
SCHEMBL889035 0.71 — —
SCHEMBL18415312 0.71 BAZ2B (0.50) BAZ2BALDH1A1ROCK1HRH1HRH4
SCHEMBL5164308 0.70 TP53 (0.48) ALDH1A1HRH4GAASMN1; SMN2POLB
Water SCHEMBL5369986 0.70 BAZ2B (0.53) BAZ2BALDH1A1ROCK1HRH1HRH4

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
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 — — US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 — — 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 (3 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BAZ2B 2734/4885ALDH1A1 365/4885MMP2 2732/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BAZ2B 298/4885ALDH1A1 201/4885MMP2 3730/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 BAZ2B 2593/4885ALDH1A1 354/4885MMP2 2763/4885

“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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