SCHEMBL2116013

SCHEMBL2116013

O=C(NO)c1ccc2c(=O)n(Cc3ccccc3)c(NCc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.55
HDAC1 Q13547 11/20 0.55
HDAC8 Q9BY41 10/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
DRD2 P14416 1/20 0.52
TBXA2R P21731 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
MELK Q14680 1/20 0.46

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
SCHEMBL2119872 0.87 HDAC8 (0.46) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2115740 0.87 DRD2 (0.66) DRD2TBXA2RSMN1; SMN2LMNAPOLB
SCHEMBL2117506 0.85 CYP3A4 (0.53) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2119765 0.84 HDAC8 (0.48) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2611323 0.79 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2117624 0.75 DRD2 (0.57) DRD2TBXA2RSMN1; SMN2LMNAPOLB
SCHEMBL2619241 0.74 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC11HDAC3
SCHEMBL2619239 0.74 HDAC1 (0.61) HDAC6HDAC1HDAC8HDAC11HDAC2
SCHEMBL4550106 0.73 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2
SCHEMBL2611263 0.73 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC11HDAC3

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 10 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-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-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO 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
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 1/4885HDAC1 2/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885

“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.