SCHEMBL10249752

SCHEMBL10249752

O=C(NO)c1ccc2c(c1)CCC(c1ccncc1)C2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.51
HDAC6 Q9UBN7 12/20 0.51
SGPL1 O95470 1/20 0.46
S1PR1 P21453 1/20 0.46
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL10246907 0.95 HDAC8 (0.57) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL10246917 0.87 HDAC6 (0.51) HDAC8HDAC6SGPL1S1PR1HDAC1
SCHEMBL10247129 0.85 HDAC8 (0.56) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL10246916 0.85 HDAC8 (0.56) HDAC8HDAC6HDAC1
SCHEMBL10247072 0.85 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL10255982 0.84 HDAC8 (0.49) HDAC8HDAC6HDAC1HDAC7HDAC9
SCHEMBL355341 0.84 CA1 (0.51) HDAC8HDAC6HDAC1
SCHEMBL10283440 0.84 HDAC6 (0.52) HDAC8HDAC6HDAC1HDAC7
SCHEMBL10247009 0.82 HDAC8 (0.57) HDAC8HDAC6HDAC1
SCHEMBL10246931 0.81 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC7HDAC9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885SGPL1 2416/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885SGPL1 3180/4885

“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.