SCHEMBL10272534

SCHEMBL10272534

O=C(NO)c1cnc2c(c1)CCN(C(=O)Nc1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.52
ROCK2 O75116 1/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
ALDH1A1 P00352 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 4/20 0.44
THRB P10828 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL10224191 0.78 HDAC6 (0.67) HDAC6MAPK1HDAC1HDAC3MEN1
SCHEMBL12923174 0.77 RAB9A (0.69) HDAC6RAB9ANPC1SMN1; SMN2TP53
SCHEMBL10224031 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL10224354 0.76 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL5525151 0.75 GAA (0.60) HDAC6MAPK1HDAC1HDAC3HDAC2
SCHEMBL10224072 0.74 HDAC6 (0.44) HDAC6SMN1; SMN2HDAC1HDAC3ALDH1A1
SCHEMBL26050916 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26050914 0.73 HDAC1 (0.56) HDAC6SMN1; SMN2HDAC1HDAC3HDAC2
SCHEMBL10224071 0.73 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7860196 0.73 RAB9A (0.57) HDAC6RAB9ANPC1SMN1; SMN2TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 1/4885ROCK2 168/4885RAB9A 1552/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885ROCK2 168/4885RAB9A 1552/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885ROCK2 168/4885RAB9A 1552/4885

“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.