SCHEMBL12233124

SCHEMBL12233124

O=C(NO)c1cc2n(n1)CCN(C(=O)C1(C(F)(F)F)CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.52
▸ RIPK1 Q13546 2/20 0.36
▸ EPHX2 P34913 4/20 0.34
▸ GRM5 P41594 4/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ SOS1 Q07889 1/20 0.32

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
SCHEMBL12210478 0.82 HDAC6 (0.57) HDAC6GRM5
SCHEMBL12210475 0.79 HDAC6 (0.54) HDAC6RIPK1GRM5
SCHEMBL12210493 0.77 HDAC6 (0.52) HDAC6GRM5
SCHEMBL12210531 0.77 HDAC6 (0.60) HDAC6RIPK1GRM5
SCHEMBL12210581 0.70 HDAC6 (0.45) HDAC6RIPK1GRM5
SCHEMBL12210532 0.69 HDAC6 (0.53) HDAC6GRM5
SCHEMBL2526693 0.68 HDAC6 (0.55) HDAC6GRM5
SCHEMBL12210588 0.68 HDAC6 (1.00) HDAC6GRM5
SCHEMBL12285743 0.68 HDAC6 (0.52) HDAC6RIPK1GRM5
SCHEMBL12210483 0.68 HDAC6 (0.67) HDAC6GRM5

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-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US claimed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885RIPK1 2631/4885EPHX2 2094/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885RIPK1 2631/4885EPHX2 2094/4885

“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.

Send feedback