SCHEMBL2115872

SCHEMBL2115872

O=C(O)NCCCn1ccc2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC3 O15379 5/20 0.45
PSMB1 P20618 2/20 0.41
PSMB5 P28074 2/20 0.41
TNF P01375 6/20 0.40
HDAC8 Q9BY41 4/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL2120147 0.87 HDAC6 (0.45) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2120793 0.84 HDAC6 (0.47) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2611377 0.84 HDAC6 (0.43) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2611250 0.83 HDAC8 (0.51) HDAC6HDAC1HDAC3HDAC8HDAC2
SCHEMBL2118959 0.83 HDAC6 (0.45) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2611388 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2611354 0.82 HDAC6 (0.44) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2117041 0.80 HDAC6 (0.44) HDAC6HDAC1HDAC3TNFHDAC8
SCHEMBL2118556 0.80 HDAC6 (0.45) HDAC6HDAC1HDAC3PSMB1PSMB5
SCHEMBL2116313 0.80 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC2

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-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 5/4885

“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.