SCHEMBL4550118

SCHEMBL4550118

O=C(NO)c1ccc2c(=O)[nH]c(CC3CCNCC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
HDAC6 Q9UBN7 7/20 0.43
HDAC8 Q9BY41 2/20 0.43
PARP14 Q460N5 5/20 0.42
CACNA1H O95180 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 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
SCHEMBL2117357 0.90 KDM4E (0.48) KDM4ERECQLHDAC6HDAC8PARP14
SCHEMBL2611303 0.85 KDM4E (0.46) KDM4ERECQLHDAC6HDAC8PARP14
SCHEMBL4550187 0.81 HDAC6 (0.43) KDM4ERECQLHDAC6HDAC8HDAC1
SCHEMBL2611394 0.78 SMYD3 (0.49) HDAC6HDAC8ALDH1A1HDAC1MAPT
SCHEMBL25364009 0.76 TNKS2 (0.56) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2115685 0.76 KDM4E (0.52) KDM4ERECQLHDAC6HDAC8PARP14
Hydrochloric Acid SCHEMBL6795779 0.75 TNKS2 (0.55) KDM4EMEN1MAPTKMT2ARAB9A
SCHEMBL4550162 0.75 KDM4E (0.55) KDM4ERECQLHDAC6HDAC8PDE5A
SCHEMBL2118969 0.74 ALDH1A1 (0.50) KDM4ERECQLHDAC6HDAC8ALDH1A1
SCHEMBL2118220 0.74 HDAC6 (0.69) KDM4ERECQLHDAC6HDAC8PDE5A

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
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

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.