SCHEMBL2520788

SCHEMBL2520788

O=C(NO)c1cc2n(c1)CCN(Cc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.63
▸ HDAC4 P56524 5/20 0.63
▸ KCNH2 Q12809 2/20 0.63
▸ COMT P21964 1/20 0.62
▸ HDAC6 Q9UBN7 15/20 0.57
▸ HDAC8 Q9BY41 4/20 0.49
▸ HDAC10 Q969S8 4/20 0.49
▸ HDAC3 O15379 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49

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
SCHEMBL12211138 0.77 HDAC6 (0.49) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18894648 0.76 COMT (1.00) COMT
SCHEMBL2522000 0.75 HDAC6 (0.50) HDAC1COMTHDAC6HDAC8HDAC10
SCHEMBL22017712 0.75 COMT (0.63) COMT
SCHEMBL2526699 0.75 HDAC1 (0.54) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL29795216 0.75 HDAC6 (0.54) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL22943785 0.75 HDAC6 (0.54) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL1264338 0.73 HDAC6 (0.65) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL23777925 0.72 COMT (0.90) COMT
SCHEMBL12210556 0.72 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC10HDAC3

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 11 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
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
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — 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
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US 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 HDAC1 2/4885HDAC4 13/4885KCNH2 3392/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC1 2/4885HDAC4 13/4885KCNH2 3392/4885

“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.

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