SCHEMBL2115685

SCHEMBL2115685

CC(C)Cc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
RECQL P46063 1/20 0.52
HDAC6 Q9UBN7 7/20 0.44
HDAC8 Q9BY41 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PDE5A O76074 1/20 0.44
PARP14 Q460N5 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2053414 0.86 KDM4E (0.70) KDM4ERECQLSMN1; SMN2ALDH1A1HTT
SCHEMBL2039522 0.85 KDM4E (0.60) KDM4ERECQLSMN1; SMN2ALDH1A1HTT
SCHEMBL2038460 0.83 SMN1; SMN2 (0.49) KDM4ERECQLSMN1; SMN2HTTRAB9A
SCHEMBL4550162 0.82 KDM4E (0.55) KDM4ERECQLHDAC6HDAC8SMN1; SMN2
SCHEMBL2619363 0.81 HDAC6 (0.47) KDM4ERECQLHDAC6HDAC8HDAC1
SCHEMBL2118969 0.81 ALDH1A1 (0.50) KDM4ERECQLHDAC6HDAC8ALDH1A1
SCHEMBL2120725 0.80 HDAC6 (0.44) KDM4ERECQLHDAC6HDAC8RAB9A
SCHEMBL2118977 0.79 HDAC6 (0.50) KDM4ERECQLHDAC6HDAC8SMN1; SMN2
SCHEMBL2118220 0.79 HDAC6 (0.69) KDM4ERECQLHDAC6HDAC8PDE5A
SCHEMBL2116521 0.78 POLB (0.51) KDM4ERECQLHDAC6HDAC8SMN1; SMN2

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
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 KDM4E 769/4885RECQL 1493/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 769/4885RECQL 1493/4885HDAC6 1/4885

“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.