SCHEMBL11910985

SCHEMBL11910985

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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 0.90 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB
SCHEMBL11911082 0.88 MAPT (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL4333103 0.70 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ASMN1; SMN2POLB
SCHEMBL4323463 0.70 KDM4E (0.58) ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL10210980 0.69 TTK (0.39) ALDH1A1KDM4EFLT3KMT2ASMN1; SMN2
SCHEMBL11910992 0.67 MAPT (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL14564459 0.64 TDP1 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL2743133 0.64 KDM4E (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL17868539 0.64 SMN1; SMN2 (0.48) ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL10209898 0.64 MAPT (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9APOLB

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 ALDH1A1 1144/4885KDM4E 3857/4885FLT3 3744/4885

“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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