SCHEMBL2116122

SCHEMBL2116122

O=C(NO)c1ccc2ccn(CCN(C(=O)C3CC3)c3cccc(-n4cccn4)c3)c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.35
NR1H4 Q96RI1 2/20 0.34
KAT6A Q92794 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.32
DGAT2 Q96PD7 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL2117871 0.90 NR1H4 (0.36) NR1H4LMNADGAT2MEN1KMT2A
SCHEMBL2619342 0.78 KAT6A (0.38) KLKB1KAT6AHDAC1HDAC6HDAC3
SCHEMBL2118151 0.77 LMNA (0.47) KLKB1KAT6AHDAC1HDAC6HDAC3
SCHEMBL2611406 0.73 HDAC6 (0.49) KLKB1HDAC1HDAC6HDAC3CHRM1
SCHEMBL2118959 0.68 HDAC6 (0.45) HDAC1HDAC6HDAC3
SCHEMBL2611403 0.67 HDAC6 (0.44) HDAC1HDAC6HDAC3
SCHEMBL2116317 0.67 HDAC1 (0.45) HDAC1HDAC6HDAC3
SCHEMBL2611354 0.67 HDAC6 (0.44) HDAC1HDAC6HDAC3
SCHEMBL2120253 0.67 MAPT (0.41) LMNA
SCHEMBL2611186 0.67 SMN1; SMN2 (0.50) HDAC1HDAC6HDAC3HTTMEN1

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 KLKB1 3615/4885NR1H4 566/4885KAT6A 24/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KLKB1 3615/4885NR1H4 566/4885KAT6A 24/4885

“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.