SCHEMBL2619243

SCHEMBL2619243

COc1ncccc1-c1cccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MMP13 P45452 8/20 0.52
CNR1 P21554 1/20 0.48
GRK2 P25098 3/20 0.45
ROCK1 Q13464 2/20 0.45
AURKA O14965 1/20 0.45
PRKCB P05771 1/20 0.45
AKT1 P31749 1/20 0.45
GRK5 P34947 1/20 0.45
GRK6 P43250 1/20 0.45

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
SCHEMBL2619422 0.92 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550062 0.85 MMP13 (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2118918 0.84 GRK2 (0.62) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15832821 0.84 CNR1 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550071 0.83 HDAC1 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2611234 0.83 MMP13 (0.71) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2619395 0.82 HDAC3 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550173 0.81 MMP13 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2619283 0.80 HDAC1 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4550048 0.80 HDAC3 (0.52) HDAC6HDAC3HDAC1HDAC2HDAC8

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 3 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-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

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 HDAC6 1/4885HDAC3 5/4885HDAC1 2/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC3 5/4885HDAC1 2/4885

“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.