SCHEMBL1264112

SCHEMBL1264112

O=C(NO)c1ccc2c(c1)CCN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.74
ESR2 Q92731 1/20 0.65
AKR1C3 P42330 11/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
AKR1C1 Q04828 3/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL1264463 0.88 HDAC6 (0.78) HDAC6ESR2AKR1C3MEN1KMT2A
SCHEMBL1264197 0.88 HDAC6 (0.74) HDAC6AKR1C3PPARGPPARDOPRM1
SCHEMBL1264512 0.88 HDAC6 (0.67) HDAC6ESR2AKR1C3MEN1KMT2A
SCHEMBL4239496 0.87 AKR1C3 (0.76) ESR2AKR1C3MEN1KMT2AAKR1C1
SCHEMBL12896037 0.86 HDAC6 (0.72) HDAC6ESR2AKR1C3KDM4EALDH1A1
SCHEMBL1263138 0.85 HDAC6 (0.70) HDAC6ESR2AKR1C3MAPTOPRM1
SCHEMBL1264443 0.85 HDAC6 (1.00) HDAC6AKR1C3KDM4EALDH1A1MAPT
SCHEMBL1263768 0.85 HDAC6 (0.80) HDAC6AKR1C3KDM4EALDH1A1MAPT
SCHEMBL1263174 0.85 HDAC6 (0.70) HDAC6AKR1C3MEN1KMT2AKDM4E
SCHEMBL7868653 0.84 ESR2 (0.64) HDAC6ESR2AKR1C3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP claimed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US claimed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885ESR2 3090/4885AKR1C3 970/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885ESR2 3443/4885AKR1C3 1898/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885ESR2 3443/4885AKR1C3 1898/4885

“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.