SCHEMBL2116366

SCHEMBL2116366

COC(=O)c1ccc(C(=O)NC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.56
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 3/20 0.49
AR P10275 1/20 0.48
PELP1 Q8IZL8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HCAR3 P49019 1/20 0.47
MAPT P10636 1/20 0.46
ERN1 O75460 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8887611 0.86 VCAM1 (0.58) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL5946703 0.85 POLB (0.65) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL559830 0.85 VCAM1 (0.64) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL30525281 0.85 VCAM1 (0.64) VCAM1HPGDKMT2AALDH1A1MEN1
Methane SCHEMBL27578247 0.84 VCAM1 (0.62) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL2116235 0.82 VCAM1 (0.61) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL8000314 0.82 VCAM1 (0.61) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL1661691 0.81 VCAM1 (0.59) VCAM1HPGDHTTKMT2AALDH1A1
SCHEMBL22897788 0.80 VCAM1 (0.58) VCAM1HPGDKMT2AALDH1A1MEN1
SCHEMBL29559552 0.80 VCAM1 (0.58) VCAM1HPGDKMT2AALDH1A1MEN1

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 VCAM1 632/4885HPGD 2018/4885HTT 139/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 VCAM1 632/4885HPGD 2018/4885HTT 139/4885

“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.