SCHEMBL2611206

SCHEMBL2611206

O=C(NO)c1ccc2ccn(CC3CCNCC3)c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMYD3 Q9H7B4 3/20 0.38
BRD4 O60885 2/20 0.38
KDM1A O60341 1/20 0.37
MAP3K5 Q99683 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL2611403 0.92 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2611464 0.89 ITGB3 (0.41) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL1993304 0.86 HDAC8 (0.51) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2611335 0.79 KDM4E (0.46) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2611451 0.78 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2611291 0.76 AKT1 (0.42) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL2118279 0.76 PDE4A (0.42) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2118959 0.76 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL2611354 0.75 HDAC6 (0.44) HDAC6HDAC8HDAC1HDAC2HDAC9
SCHEMBL1993864 0.74 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC2HDAC9

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 7 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-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

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

“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.