SCHEMBL13606220

SCHEMBL13606220

CONC(=O)Cn1sc2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KAT2A Q92830 5/20 0.69
▸ KAT2B Q92831 5/20 0.69
▸ G6PD P11413 6/20 0.65
▸ CASP3 P42574 3/20 0.56
▸ CASP7 P55210 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ APOBEC3G Q9HC16 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL9274624 0.84 KAT2A (0.66) KAT2AKAT2BG6PDCASP3
SCHEMBL13606221 0.82 G6PD (0.72) KAT2AKAT2BG6PDCASP3CASP7
SCHEMBL12205840 0.81 KAT2A (0.66) KAT2AKAT2BG6PDCASP3CASP7
SCHEMBL13606229 0.80 HDAC3 (0.74) KAT2AKAT2BG6PDCASP3
SCHEMBL12230839 0.80 CASP3 (0.65) KAT2AKAT2BG6PDCASP3CASP7
SCHEMBL12230836 0.80 KAT2A (0.86) KAT2AKAT2BG6PDCASP3CASP7
SCHEMBL12205847 0.79 G6PD (0.62) KAT2AKAT2BG6PDCASP3
SCHEMBL12179299 0.79 CASP3 (0.65) KAT2AKAT2BG6PDCASP3
SCHEMBL12205846 0.78 KAT2A (0.70) KAT2AKAT2BG6PDCASP3CASP7
SCHEMBL12230840 0.78 KAT2A (0.71) KAT2AKAT2BG6PDCASP3CASP7

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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS UNIVERSIDAD DE GRANADA (ES) 2009-12-17 — — 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-20090312377-A1 DERIVATIVES OF BENZO[D]ISOTHIAZOLES AS HISTONES DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KAT2A 17/4885KAT2B 15/4885G6PD 1191/4885

“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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