SCHEMBL12210481

SCHEMBL12210481

O=C(NO)c1cc2n(c1)CCN(C(=O)c1csc3ccccc13)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.65
▸ HDAC3 O15379 2/20 0.55
▸ HDAC1 Q13547 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
▸ HDAC5 Q9UQL6 2/20 0.55
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HDAC4 P56524 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 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
SCHEMBL12210625 0.94 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210562 0.79 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210586 0.79 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL1263479 0.77 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210523 0.77 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210556 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12282805 0.74 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL31181986 0.72 HTT (0.74) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210516 0.72 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210574 0.72 HDAC6 (0.60) HDAC6HDAC3HDAC1HDAC7HDAC2

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 8 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-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

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 1/4885HDAC3 12/4885HDAC1 2/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC3 12/4885HDAC1 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.

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