SCHEMBL11910992

SCHEMBL11910992

COC(=O)c1ccc(-c2ncc(C)n3cccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A2 O94788 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL10209898 0.87 MAPT (0.44) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL10211456 0.74 MAPT (0.46) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL18086809 0.71 RORC (0.56) —
SCHEMBL29386498 0.70 RORC (0.56) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL22426353 0.70 MAPT (0.53) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL30572060 0.70 TDP1 (0.51) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL26120841 0.70 TDP1 (0.51) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL15987497 0.69 MAP2K4 (0.53) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL30079151 0.69 CA1 (0.57) MAPTGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL15999117 0.68 TRPV1 (0.60) MAPTALDH1A1HPGDSMN1; SMN2MAPK1

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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