SCHEMBL2118098

SCHEMBL2118098

O=C(NO)c1ccc2ccn(-c3ccc(Cl)cc3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN2B O60939 1/20 0.44
SCN1B Q07699 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
HDAC8 Q9BY41 12/20 0.43
HDAC6 Q9UBN7 11/20 0.43
HDAC1 Q13547 10/20 0.43
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
F10 P00742 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL2611326 0.88 ROCK2 (0.48) SCN2BSCN1BSCN5ASCN9AHDAC8
SCHEMBL2116358 0.87 HDAC6 (0.44) SCN2BSCN1BSCN5ASCN9AHDAC8
SCHEMBL2118330 0.84 HDAC6 (0.53) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2611447 0.83 HDAC8 (0.40) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2611417 0.80 HDAC6 (0.42) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2611370 0.77 HDAC6 (0.51) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL15832843 0.76 PARP1 (0.42) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2116948 0.76 HDAC6 (0.49) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2619266 0.76 HDAC1 (0.45) HDAC8HDAC6HDAC1HDAC3HDAC2
SCHEMBL2611404 0.75 ROCK2 (0.42) HDAC8HDAC6HDAC1HDAC3HDAC2

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 SCN2B 1959/4885SCN1B 1732/4885SCN5A 2505/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SCN2B 1959/4885SCN1B 1732/4885SCN5A 2505/4885

“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.