SCHEMBL1021883

SCHEMBL1021883

O=[N+]([O-])c1ccccc1C1CO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CUL4A Q13619 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
DNMT3B Q9UBC3 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL30844063 1.00 MEN1 (0.44) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL528252 0.88 MAPT (0.39) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL30886752 0.88 MAPT (0.39) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL15017705 0.84 TDP1 (0.60) MEN1KMT2AMAPTL3MBTL1HSD17B10
SCHEMBL11743037 0.84 GPR35 (0.49) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL5486010 0.83 HTT (0.44) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL1935386 0.81 KDM4E (0.39) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL10819483 0.81 ALDH1A1 (0.43) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL11451379 0.81 GPR35 (0.45) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL18555673 0.80 MEN1 (0.41) MEN1KMT2AKDM4EGAAMAPT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437955-B Process for the preparation of optically active 5-substituted 2-oxazolidinones from racemic epoxides and cyanate employing a halohydrin dehalogenase BASF SE 2012-10-31 CN disclosed
US-8198069-B2 Method of producing an optically enriched tertiary alcohol from an epoxide using halohydrin dehalogenase BASF SE (DE) 2012-06-12 US disclosed
EP-1966385-B1 A process for the production of an optically enriched tertiary alcohol BASF SE (DE) 2012-05-02 EP disclosed
US-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-7993904-B2 Process for the preparation of optically active 5-substituted 2-oxazolidinones from racemic epoxides and cyanate employing a halohydrin dehalogenase BASF SE (DE) 2011-08-09 US disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-1287155-B2 ENZYMATIC CONVERSION OF EPOXIDES CODEXIS INC (US) 2011-01-12 EP disclosed
US-7695942-B2 Enzymatic conversion of epoxides CODEXIS, INC. (US) 2010-04-13 US disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides OXYRANE (UK) LIMITED (GB) 2009-11-05 US disclosed
EP-1158054-A1 Enzymatic conversion of epoxides Rijksuniversiteit te Groningen (NL) 2001-11-28 EP disclosed
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
WO-2000037619-A2 MUTANT EPOXIDE HYDROLASES DSM N.V. (NL) 2000-06-29 WO disclosed
EP-1013768-A1 Mutant epoxide hydrolases DSM N.V. (NL) 2000-06-28 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
CN-1036276-A Make the method for erect image and negative-appearing image with the static main leaf of photo-hardening DU PONT (US) 1989-10-11 CN disclosed
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 MEN1 4149/4885KMT2A 1008/4885KDM4E 721/4885
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides EPHX2, EPHX1, DERA MEN1 2316/4885KMT2A 2318/4885KDM4E 2561/4885

“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.