SCHEMBL2611277

SCHEMBL2611277

O=C(NO)c1ccc2ncn(Cc3cccc(F)c3)c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.59
HDAC1 Q13547 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
GRK2 P25098 2/20 0.54
HSD17B13 Q7Z5P4 1/20 0.52
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.49
CNR1 P21554 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL15849075 0.89 HDAC1 (0.55) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL4550047 0.89 GRK2 (0.61) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2611301 0.88 MMP13 (0.65) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2118538 0.87 MMP13 (0.58) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2116368 0.87 MMP13 (0.59) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL3415680 0.86 CNR1 (0.61) HDAC1HDAC6HSD17B13EPHX2PPARG
SCHEMBL2611234 0.85 MMP13 (0.71) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2120683 0.84 MMP13 (0.59) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2118918 0.84 GRK2 (0.62) MMP13HDAC1HDAC6HDAC3HDAC4
SCHEMBL2619283 0.84 HDAC1 (0.52) MMP13HDAC1HDAC6HDAC3HDAC4

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
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

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 MMP13 224/4885HDAC1 2/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MMP13 224/4885HDAC1 2/4885HDAC6 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.