SCHEMBL720243

SCHEMBL720243

O=C(NO)c1cnc2c(c1)CCN(C(=O)c1cc3ccccc3s1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.59
HRH4 Q9H3N8 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42

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
SCHEMBL10224110 0.92 HDAC6 (0.59) HDAC6HRH4HDAC3HDAC1HDAC2
SCHEMBL16640625 0.85 HDAC6 (0.64) HDAC6HRH4HDAC3HDAC1HDAC2
SCHEMBL10224226 0.84 HDAC6 (0.62) HDAC6HRH4HDAC3HDAC1HDAC2
SCHEMBL1263368 0.80 HDAC6 (0.65) HDAC6HRH4HDAC3HDAC1HDAC2
SCHEMBL10224052 0.78 ALDH1A1 (0.49) HDAC6HRH4L3MBTL1CA12CA1
SCHEMBL721224 0.78 HDAC6 (0.62) HDAC6HRH4HDAC3HDAC1HDAC2
SCHEMBL10224071 0.76 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10224031 0.75 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10224354 0.75 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10224065 0.75 HDAC6 (0.72) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US claimed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885HRH4 60/4885HDAC3 5/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885HRH4 60/4885HDAC3 5/4885

“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.