SCHEMBL4144906

SCHEMBL4144906

Cc1nc(Cl)c(C(N)=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CASP1 P29466 8/20 0.43
POLB P06746 1/20 0.43
NNMT P40261 2/20 0.38
LMNA P02545 1/20 0.37
DGAT1 O75907 1/20 0.37
CD38 P28907 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL23856563 0.84 KEAP1 (0.70) KEAP1NFE2L2POLBLMNAKDM4E
SCHEMBL30474526 0.83 KEAP1 (0.69) KEAP1NFE2L2CASP1POLBLMNA
SCHEMBL166218 0.83 KEAP1 (0.69) KEAP1NFE2L2CASP1POLBLMNA
SCHEMBL21906152 0.81 POLB (0.50) CASP1POLBNNMTLMNAKDM4E
SCHEMBL14332523 0.81 KEAP1 (0.52) KEAP1NFE2L2CASP1POLBNNMT
SCHEMBL114292 0.79 KEAP1 (0.46) KEAP1NFE2L2LMNAKDM4EALDH1A1
SCHEMBL23373287 0.79 KEAP1 (0.46) KEAP1NFE2L2POLBKDM4EALDH1A1
SCHEMBL2920745 0.76 KEAP1 (0.42) KEAP1NFE2L2POLBLMNAALDH1A1
SCHEMBL9703868 0.76 POLB (0.52) KEAP1NFE2L2CASP1POLBNNMT
SCHEMBL30170611 0.76 POLB (0.52) KEAP1NFE2L2CASP1POLBNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
CN-101454319-B Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD 2012-06-27 CN disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
CN-101454319-A Novel heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO LTD (JP) 2009-06-10 CN disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 KEAP1 1008/4885NFE2L2 1703/4885CASP1 1928/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 KEAP1 853/4885NFE2L2 1532/4885CASP1 1814/4885

“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.