SCHEMBL13486138

SCHEMBL13486138

O=C(CCc1ccc(CS)cc1)NO

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.67
HDAC2 Q92769 10/20 0.66
HDAC8 Q9BY41 9/20 0.66
HDAC6 Q9UBN7 9/20 0.66
HDAC3 O15379 6/20 0.56
HDAC5 Q9UQL6 6/20 0.56
HDAC4 P56524 6/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
ALOX5 P09917 1/20 0.49

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
SCHEMBL1981652 0.82 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8238392 0.82 HDAC8 (0.89) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL10027984 0.80 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2635132 0.80 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5020672 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL763015 0.80 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1847911 0.79 HDAC2 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
Benzene SCHEMBL28125146 0.79 HDAC2 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1980549 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2635131 0.77 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC3

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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC1 28/4885HDAC2 150/4885HDAC8 100/4885

“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.