SCHEMBL11911082

SCHEMBL11911082

COC(=O)c1ncc(-c2ccc(C(C)=O)cc2)n2cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL10211456 0.93 MAPT (0.46) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11910985 0.88 ALDH1A1 (0.41) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL11910992 0.68 MAPT (0.46) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10209898 0.68 MAPT (0.44) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4333103 0.66 ALDH1A1 (0.48) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4323463 0.66 KDM4E (0.58) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9762105 0.65 CA1 (0.59) MAPTALDH1A1KDM4ESMN1; SMN2SLC6A3
SCHEMBL5412277 0.65 TTK (0.57) TTK
SCHEMBL31096093 0.64 KDR (0.54) RAB9ANPC1HPGD
SCHEMBL3850100 0.64 PIK3CA (0.53) ALDH1A1KDM4EATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 — — 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-20120195857-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPT 4065/4885GAA 223/4885ALDH1A1 1144/4885

“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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