SCHEMBL4251198

SCHEMBL4251198

COc1ccc(Cn2cc(CNCc3ccccc3)c3ccc(C(=S)NO)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.47
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ PLA2G2A P14555 2/20 0.46
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HTR6 P50406 2/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42

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
SCHEMBL1609182 0.89 HDAC6 (0.59) HDAC6HDAC1HDAC2PLA2G2AMTNR1A
SCHEMBL4252215 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC2CHRNB2CHRNA7
SCHEMBL4255203 0.82 HDAC6 (0.53) HDAC6HDAC1HDAC2CHRNB2CHRNA7
SCHEMBL9733129 0.80 PLA2G2A (0.66) HDAC6HDAC1HDAC2PLA2G2ACHRNB2
SCHEMBL9733154 0.77 PLA2G2A (0.50) PLA2G2ACHRNB2CHRNA7CHRNA4HTR6
SCHEMBL9732896 0.77 PLA2G2A (0.69) HDAC6HDAC1HDAC2PLA2G2ACHRNB2
SCHEMBL9732157 0.77 PLA2G2A (0.49) PLA2G2ACHRNB2CHRNA7CHRNA4HTR6
SCHEMBL1994325 0.74 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL4254173 0.72 HDAC6 (0.75) HDAC6HDAC1HDAC2MTNR1AMTNR1B
SCHEMBL9732645 0.72 PLA2G2A (0.61) HDAC6HDAC1HDAC2PLA2G2AHTR6

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 — — 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 HDAC6 11/4885HDAC1 1/4885HDAC2 4/4885

“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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