SCHEMBL3518973

SCHEMBL3518973

N#Cc1cc2c(cc1Br)CCC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
PBRM1 Q86U86 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 1/20 0.36
HSD17B1 P14061 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
KDM4E B2RXH2 3/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 1/20 0.32
GPR35 Q9HC97 1/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28758467 0.79
SCHEMBL433705 0.79 CASP1 (0.46) PGRPBRM1CASP1CASP7HSD17B10
SCHEMBL23051659 0.78 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10GRM5
SCHEMBL31591224 0.78 PBRM1 (0.47) PBRM1CASP1CASP7HSD17B10GRM5
SCHEMBL23792337 0.75 PGR (0.38) PGRPBRM1CASP1CASP7HSD17B10
SCHEMBL31674157 0.75 HSD17B1 (0.41) PGRPBRM1CASP1CASP7HSD17B10
SCHEMBL19887446 0.72 PBRM1 (0.41) PBRM1CASP1CASP7HSD17B10GRM5
SCHEMBL4808913 0.72 HSD17B1 (0.44) PBRM1CASP1CASP7HSD17B10GRM5
SCHEMBL1562728 0.72 PBRM1 (0.50) PBRM1CASP1CASP7HSD17B10GRM5
SCHEMBL2300153 0.72 CASP7 (0.50) PBRM1CASP1CASP7HSD17B10GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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 (1 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR PGR 926/4885PBRM1 3347/4885CASP1 1454/4885

“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.