SCHEMBL2117076

SCHEMBL2117076

O=C(NO)c1ccc2c(=O)[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.77
HDAC8 Q9BY41 5/20 0.77
HDAC1 Q13547 4/20 0.64
HDAC3 O15379 3/20 0.64
HPGD P15428 2/20 0.63
TNKS O95271 4/20 0.58
TNKS2 Q9H2K2 3/20 0.58
PARP1 P09874 2/20 0.58
HDAC2 Q92769 2/20 0.55
GUSB P08236 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
KDM4C Q9H3R0 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL2115413 0.88 HDAC6 (0.67) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2116150 0.88 HDAC6 (0.66) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2117471 0.87 MAPT (0.60) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2118741 0.85 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2611485 0.84 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL4550117 0.84 HDAC6 (0.65) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2120492 0.84 HDAC6 (0.62) HDAC6HDAC8HDAC1HDAC3TNKS
SCHEMBL2619394 0.84 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL2116074 0.83 GUSB (0.61) HDAC6HDAC8HDAC1HDAC3HPGD
SCHEMBL6519288 0.83 HDAC6 (0.76) HDAC6HDAC8HDAC1HDAC3HPGD

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC8 14/4885HDAC1 2/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC8 14/4885HDAC1 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.