SCHEMBL14137893

SCHEMBL14137893

CCc1cc(-c2cccs2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.58
▸ ESR1 P03372 3/20 0.51
▸ ESR2 Q92731 3/20 0.51
▸ PTPN1 P18031 1/20 0.49
▸ HSD17B1 P14061 3/20 0.49
▸ HSD17B2 P37059 1/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ HDAC2 Q92769 7/20 0.45
▸ HDAC1 Q13547 6/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ LTA4H P09960 1/20 0.43

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
SCHEMBL327854 0.80 KCNH2 (0.64) KCNH2HDAC2HDAC1HDAC3
SCHEMBL1981933 0.80 PTPN1 (0.59) ERN1PTPN1HDAC2HDAC1HDAC3
SCHEMBL28745316 0.78 PTPN1 (0.48) PTPN1KCNH2HDAC2HDAC1HDAC3
SCHEMBL29744559 0.78 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2HDAC2
SCHEMBL6068103 0.78 ERN1 (0.64) ERN1HSD17B1HSD17B2KCNH2HDAC2
SCHEMBL3953461 0.78 HSD17B1 (0.71) ESR1ESR2HSD17B1HSD17B2
SCHEMBL172744 0.77 ERN1 (0.58) ERN1ESR1ESR2HSD17B1HSD17B2
SCHEMBL17049365 0.77 ERN1 (0.62) ERN1KCNH2HDAC2HDAC1HDAC3
SCHEMBL13678958 0.76 HSD17B1 (0.75) ESR1ESR2HSD17B1
SCHEMBL7770514 0.75 ERN1 (0.55) ERN1KCNH2HDAC2HDAC1HDAC3

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-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 — — 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-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ERN1 2623/4885ESR1 4170/4885ESR2 1960/4885

“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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