SCHEMBL10272565

SCHEMBL10272565

O=C(NO)c1cnc2c(c1)CCN(C(=O)C1(Cc3ccccc3)CCNCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.46
HDAC6 Q9UBN7 16/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC3 O15379 7/20 0.42
HDAC2 Q92769 7/20 0.42
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL10208244 0.81 HDAC6 (0.40) SMYD3HDAC6HDAC1HDAC3HDAC2
SCHEMBL7918355 0.77 NR3C2 (0.51) SMYD3HDAC8
SCHEMBL26050914 0.74 HDAC1 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL722899 0.74 HDAC6 (0.43) SMYD3HDAC6HDAC1HDAC3HDAC2
SCHEMBL10207564 0.73 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10224031 0.71 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10224354 0.71 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10224223 0.71 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL10208232 0.71 HSD11B1 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL25346090 0.71 HDAC6 (0.43) SMYD3HDAC6HDAC1HDAC3HDAC2

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 7 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-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SMYD3 2190/4885HDAC6 1/4885HDAC1 2/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SMYD3 2190/4885HDAC6 1/4885HDAC1 2/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SMYD3 2190/4885HDAC6 1/4885HDAC1 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.