SCHEMBL2116313

SCHEMBL2116313

O=C(NO)c1ccc2ccn(CCCN3CCCCC3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
HDAC6 Q9UBN7 6/20 0.45
HDAC3 O15379 3/20 0.45
HTR6 P50406 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
KMT2A Q03164 2/20 0.42
HTR3A P46098 1/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL2116922 0.93 HDAC6 (0.47) HDAC1MAPTKDM4EHTTHDAC6
SCHEMBL2611388 0.83 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2118279 0.83 PDE4A (0.42) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2120793 0.82 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2118959 0.81 HDAC6 (0.45) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2611354 0.80 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2115872 0.80 HDAC6 (0.45) HDAC1MAPTKDM4EHTTHDAC6
SCHEMBL2611250 0.79 HDAC8 (0.51) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL2118310 0.79 SMN1; SMN2 (0.56) MAPTKDM4EHTTKMT2AALDH1A1
SCHEMBL2118556 0.78 HDAC6 (0.45) HDAC1HDAC6HDAC3HDAC2NCOR2

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 HDAC1 2/4885MAPT 2988/4885KDM4E 769/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC1 2/4885MAPT 2988/4885KDM4E 769/4885

“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.