SCHEMBL394584

SCHEMBL394584

COc1ccc2c(C)cc(=O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 6/20 0.68
RXFP1 Q9HBX9 1/20 0.68
GAA P10253 3/20 0.67
GLA P06280 2/20 0.67
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.59
TNKS2 Q9H2K2 4/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
AR P10275 1/20 0.53
NQO2 P16083 2/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP19A1 P11511 1/20 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
SCHEMBL30634405 1.00 KDM4E (1.00) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL12002193 0.88 KDM4E (0.78) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL2798566 0.86 KDM4E (0.75) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL30283738 0.83 KDM4E (0.70) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL30283860 0.83 KDM4E (0.71) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL28445737 0.83 KDM4E (0.71) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL743131 0.83 KDM4E (0.71) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL12667324 0.81 KDM4E (0.69) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL12986903 0.80 KDM4E (1.00) KDM4EALDH1A1RXFP1GAAGLA
SCHEMBL10285854 0.79 KDM4E (0.65) KDM4EALDH1A1GAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408863-B1 NUCLEIC ACID BINDING DYES AND USES THEREFOR PROMEGA CORP (US) 2018-01-10 EP disclosed
US-9458499-B2 Nucleic acid binding dyes and uses therefor PROMEGA CORPORATION (US) 2016-10-04 US disclosed
US-9458499-B2 Nucleic acid binding dyes and uses therefor PROMEGA CORPORATION (US) 2016-10-04 US disclosed
US-20160083782-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-03-24 US disclosed
US-20160083782-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-03-24 US disclosed
US-9206474-B2 Nucleic acid binding dyes and uses therefor PROMEGA CORPORATION (US) 2015-12-08 US disclosed
US-9206474-B2 Nucleic acid binding dyes and uses therefor PROMEGA CORPORATION (US) 2015-12-08 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2010-09-16 US disclosed
US-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2010-09-16 US disclosed
US-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2010-09-16 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1995003300-A1 HETEROARYL QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1995-02-02 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 (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-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR POLRMT, POLB, POLL KDM4E 4619/4885ALDH1A1 898/4885RXFP1 3442/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KDM4E 2360/4885ALDH1A1 2925/4885RXFP1 148/4885

“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.