SCHEMBL2116566

SCHEMBL2116566

CC(C)n1c(-c2ccccc2)nc2cc(C(=O)NO)ccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC11 Q96DB2 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 1/20 0.42
ATM Q13315 1/20 0.42
ADRA1A P35348 1/20 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
SCHEMBL2116241 0.86 ALDH1A1 (0.57) L3MBTL1NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL6511803 0.85 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL29208194 0.79 SMN1; SMN2 (0.62) L3MBTL1NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL6516271 0.77 HDAC6 (0.65) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL21975920 0.73 HDAC6 (0.95) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2611392 0.73 HDAC1 (0.48) HDAC6HDAC1HDAC8HDAC2EGFR
SCHEMBL10261201 0.73 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2119122 0.73 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2611263 0.72 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL31542050 0.72 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885

“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.