SCHEMBL12868966

SCHEMBL12868966

Cc1cccc(-c2cc3c(cc(C(=O)N4CCc5sc(C(=O)NO)cc5C4)n3C)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.56
▸ SMO Q99835 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM1A O60341 5/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL12869040 0.93 HDAC6 (0.56) HDAC6SMOKDM4ETP53MAPT
SCHEMBL1174528 0.89 HDAC6 (0.53) HDAC6SMOKDM4ETP53MAPT
SCHEMBL1174060 0.86 HDAC6 (0.54) HDAC6KDM4ETP53MAPTHPGD
SCHEMBL1174023 0.83 HDAC6 (0.53) HDAC6KDM4ETP53MAPTHPGD
SCHEMBL1175155 0.81 HDAC6 (0.52) HDAC6KDM4ETP53MAPTHPGD
SCHEMBL12868932 0.81 HDAC6 (0.52) HDAC6KDM4ETP53MAPTHPGD
SCHEMBL1175124 0.79 HDAC6 (0.54) HDAC6KDM4ETP53MAPTHPGD
SCHEMBL1174342 0.79 HDAC6 (0.50) HDAC6KDM1APRMT5WDR77
SCHEMBL1173522 0.75 HDAC6 (0.37) HDAC6KDM4EMAPTHPGDHTT
SCHEMBL1175223 0.74 HDAC6 (0.52) HDAC6KDM4ETP53MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — 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 (2 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885SMO 3012/4885KDM4E 903/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885SMO 3012/4885KDM4E 903/4885

“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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