SCHEMBL10247090

SCHEMBL10247090

O=C(NO)c1ccc2c(c1)CC(c1c[nH]c3ccccc13)CC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 0.48
HDAC6 Q9UBN7 6/20 0.48
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
CREBBP Q92793 1/20 0.44
CCR2 P41597 2/20 0.43
ADRB2 P07550 1/20 0.42
HTR2C P28335 1/20 0.42
HDAC1 Q13547 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
SCHEMBL10246978 0.96 KDM4E (0.44) HDAC8HDAC6KDM4EBRD4ALDH1A1
SCHEMBL10247009 0.78 HDAC8 (0.57) HDAC8HDAC6HDAC1
SCHEMBL10247093 0.76 HDAC8 (0.51) HDAC8HDAC6HDAC1
SCHEMBL10246930 0.76 HDAC8 (0.54) HDAC8HDAC6
SCHEMBL10247130 0.76 HDAC8 (0.50) HDAC8HDAC6
SCHEMBL10247187 0.73 HDAC8 (0.67) HDAC8HDAC6HDAC1
SCHEMBL10246917 0.73 HDAC6 (0.51) HDAC8HDAC6HDAC1
SCHEMBL10246977 0.72 HDAC8 (0.47) HDAC8HDAC6HDAC1
SCHEMBL21976478 0.71 ALOX5 (0.42) HDAC8HDAC6POLBCCR2HDAC1
SCHEMBL10247021 0.71 HDAC8 (0.46) HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885KDM4E 668/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885KDM4E 597/4885

“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.