SCHEMBL2611271

SCHEMBL2611271

O=C(NO)c1ccc2ncn(CCc3ccccn3)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
CNOT7 Q9UIV1 1/20 0.48
RAB9A P51151 3/20 0.44
MMP13 P45452 2/20 0.43
APP P05067 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2118029 0.89 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL2611462 0.83 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL4550076 0.82 HDAC6 (0.52) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL2611374 0.82 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL15832907 0.81 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL15832906 0.81 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL2611334 0.80 HTT (0.63) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL30128546 0.79 SMN1; SMN2 (0.53) CNOT7RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL2611356 0.78 GRK2 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL2116714 0.77 HDAC1 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC11

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 9 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

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.