SCHEMBL2117357

SCHEMBL2117357

O=C(NO)c1ccc2c(=O)[nH]c(CC3CCCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
RECQL P46063 1/20 0.48
PDE9A O76083 2/20 0.47
HDAC6 Q9UBN7 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC8 Q9BY41 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1C Q14123 1/20 0.41
HDAC1 Q13547 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP14 Q460N5 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
SCHEMBL4550118 0.90 KDM4E (0.47) KDM4ERECQLHDAC6ALDH1A1MEN1
SCHEMBL18229576 0.84 HDAC6 (0.59) HDAC6HDAC8HDAC1
SCHEMBL2118710 0.81 HDAC6 (0.46) KDM4ERECQLHDAC6ALDH1A1HDAC8
SCHEMBL2619345 0.79 HDAC6 (0.46) KDM4ERECQLPDE9AHDAC6ALDH1A1
SCHEMBL2611303 0.78 KDM4E (0.46) KDM4ERECQLHDAC6ALDH1A1MEN1
SCHEMBL2115685 0.77 KDM4E (0.52) KDM4ERECQLHDAC6ALDH1A1MEN1
SCHEMBL4550162 0.76 KDM4E (0.55) KDM4ERECQLHDAC6ALDH1A1MEN1
SCHEMBL30176871 0.76 TNKS2 (0.57) KDM4EPDE9AALDH1A1MEN1KMT2A
SCHEMBL2118220 0.75 HDAC6 (0.69) KDM4ERECQLHDAC6KMT2AHDAC8
SCHEMBL2118969 0.75 ALDH1A1 (0.50) KDM4ERECQLHDAC6ALDH1A1MEN1

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 6 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-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

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 1493/4885PDE9A 3050/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 769/4885RECQL 1493/4885PDE9A 3050/4885

“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.