SCHEMBL2300153

SCHEMBL2300153

Nc1cc2c(cc1Br)CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TYMS P04818 3/20 0.44
PBRM1 Q86U86 1/20 0.41
HSD17B1 P14061 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PRKCI P41743 1/20 0.32
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29618363 1.00 CASP7 (0.50) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL434862 0.92 TYMS (0.51) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL21772243 0.89 MEN1 (0.49) CASP7CASP1HSD17B10TYMSHSD17B1
SCHEMBL23051659 0.83 PBRM1 (0.47) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL31591224 0.83 PBRM1 (0.47) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL460543 0.83 CASP1 (0.57) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL1025098 0.80 HSD17B10 (0.50) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL15180109 0.76 HSD17B10 (0.50) CASP7CASP1HSD17B10TYMSPBRM1
SCHEMBL7888335 0.76 CASP1 (0.50) CASP7CASP1HSD17B10PBRM1HSD17B1
SCHEMBL6206980 0.76 CASP1 (0.50) CASP7CASP1HSD17B10TYMSPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP claimed
JP-4762551-B2 2011-08-31 JP claimed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP claimed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 WO claimed
WO-2023114819-A1 TETRALINE, PHENYLCYCLOBUTANE, AND PHENYLCYCLOPENTANE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
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
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
CN-109956928-B Pyridine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 CN disclosed
CN-109071498-B Kinase inhibitor and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-03-30 CN disclosed
CN-110655503-A Substituted triazole compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-01-07 CN disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US 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
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
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 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 (3 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 CASP7 884/4885CASP1 1528/4885HSD17B10 106/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CASP7 1175/4885CASP1 1454/4885HSD17B10 988/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB CASP7 3780/4885CASP1 4432/4885HSD17B10 313/4885

“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.