SCHEMBL4253309

SCHEMBL4253309

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.55
▸ HDAC2 Q92769 5/20 0.55
▸ HDAC3 O15379 4/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ HDAC5 Q9UQL6 2/20 0.55
▸ CNR1 P21554 2/20 0.47
▸ PYGL P06737 1/20 0.47
▸ KCNA6 P17658 1/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ KCNA4 P22459 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MLLT1 Q03111 1/20 0.45

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
SCHEMBL446978 0.91 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4250970 0.88 KDM4E (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4251122 0.87 KDM4E (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4249821 0.83 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4253856 0.79 MEN1 (0.50) ALDH1A1MAPTNPSR1
SCHEMBL444819 0.78 KDM4E (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4253298 0.78 HDAC1 (0.45) HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL4253730 0.78 HDAC3 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL446419 0.77 KDM4E (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4254285 0.75 NPC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7

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 HDAC1 1/4885HDAC2 4/4885HDAC3 3/4885

“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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