SCHEMBL2462086

SCHEMBL2462086

CN(C)C1=C(Cl)C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.60
DNMT1 P26358 1/20 0.60
DNMT3L Q9UJW3 1/20 0.60
DNMT3A Q9Y6K1 1/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MAPT P10636 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 5/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NSD2 O96028 4/20 0.51
MAPK1 P28482 4/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51

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
SCHEMBL31290114 1.00 IDO1 (0.60) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL31171425 0.89 MEN1 (0.55) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL20046960 0.85 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL29967684 0.85 HKDC1 (0.51) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL5611908 0.82 MAOA (0.48) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL16297179 0.80 MAPT (0.61) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL9326033 0.79 MAOA (0.55) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL20046959 0.78 HKDC1 (0.50) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL19625587 0.78 MAOA (0.51) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL6115626 0.77 S100A4 (0.60) IDO1DNMT1DNMT3LDNMT3AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4081279-A Photothermographic materials containing radiation sensitive quinone compounds and nitrobenzylidene dyes EASTMAN KODAK COMPANY (US) 1978-03-28 US claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
WO-2015172076-A1 NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-11-12 WO disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO disclosed
US-7691418-B2 Composition for inhibiting or preventing the formation of a biofilm OYSTERSHELL NV (BE) 2010-04-06 US disclosed
US-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm OYSTERSHELL NV (BE) 2007-11-08 US disclosed
US-4642350-A Novel process for preparation of benzotriazoles using aryldiols and quinones CIBA-GEIGY CORPORATION (US) 1987-02-10 US disclosed
US-4081279-A Photothermographic materials containing radiation sensitive quinone compounds and nitrobenzylidene dyes EASTMAN KODAK COMPANY (US) 1978-03-28 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 (5 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-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm NQO2, NFKBIA, CROCC IDO1 1131/4885DNMT1 567/4885DNMT3L 2404/4885
US-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 IDO1 1087/4885DNMT1 416/4885DNMT3L 236/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 IDO1 1087/4885DNMT1 416/4885DNMT3L 236/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 IDO1 1087/4885DNMT1 416/4885DNMT3L 236/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 IDO1 1087/4885DNMT1 416/4885DNMT3L 236/4885

“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.