SCHEMBL2116317

SCHEMBL2116317

O=C(NO)c1ccc2ccn(CCc3cccc4ccccc34)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.45
HDAC6 Q9UBN7 10/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC3 O15379 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
NCOR2 Q9Y618 1/20 0.42
PLAU P00749 1/20 0.42
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL2117667 0.84 NPC1 (0.52) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL2611250 0.81 HDAC8 (0.51) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2118959 0.81 HDAC6 (0.45) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2611462 0.81 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2611354 0.80 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2611316 0.79 HDAC8 (0.48) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2611370 0.79 HDAC6 (0.51) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL17545511 0.79 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2120838 0.79 HDAC6 (0.48) HDAC1HDAC6HDAC8HDAC2HDAC10
SCHEMBL2115331 0.79 MAPT (0.47) HDAC1HDAC6HDAC8HDAC2HDAC10

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 10 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
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 HDAC1 2/4885HDAC6 1/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC1 2/4885HDAC6 1/4885HDAC8 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.