Sugi Predict

Sugi Predict / Compounds / SCHEMBL540079

SCHEMBL540079

SCHEMBL540079

O=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ CHRM3 P20309 1/20 0.68
▸ TYR P14679 1/20 0.64
▸ CASP3 P42574 3/20 0.62
▸ ADRA1D P25100 2/20 0.62
▸ ADRA1A P35348 2/20 0.62
▸ ADRA1B P35368 2/20 0.62
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ CA12 O43570 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ GSK3B P49841 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ CYP1B1 Q16678 1/20 0.54

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
SCHEMBL31599260 1.00 CHRM5 (0.68) CHRM5CHRM1CHRM3TYRCASP3
SCHEMBL3238951 0.85 CASP3 (0.62) CHRM5CHRM1CHRM3TYRCASP3
SCHEMBL11167209 0.84 CASP3 (0.67) CASP3ADRA1DADRA1AADRA1BHDAC1
SCHEMBL30472950 0.84 CASP3 (0.85) CHRM1CASP3ADRA1DADRA1AADRA1B
SCHEMBL326305 0.84 CASP3 (0.85) CHRM1CASP3ADRA1DADRA1AADRA1B
SCHEMBL29401676 0.83 CASP3 (0.56) CHRM5CHRM1CHRM3TYRCASP3
SCHEMBL4338734 0.83 CASP3 (0.56) CHRM5CHRM1CHRM3TYRCASP3
SCHEMBL29820192 0.82 CASP3 (0.65) CASP3ADRA1DADRA1AADRA1BHDAC1
SCHEMBL8737445 0.82 CASP3 (0.65) CASP3ADRA1DADRA1AADRA1BHDAC1
SCHEMBL18668950 0.82 CES2 (0.67) CASP3ADRA1DADRA1AADRA1BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072546-A Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 — — CN disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 — — CN disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 — — EP disclosed
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 — — EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 — — US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 — — US disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 — — WO disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 — — US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 — — US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
WO-2006081807-A2 METHOD FOR THE PRODUCTION OF LOSARTAN RATIOPHARM GMBH (DE) 2006-08-10 — — WO disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
EP-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 — — EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 — — US disclosed
EP-0988551-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS Bayer Corporation (US) 2000-03-29 — — EP disclosed
WO-1998054574-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER CORPORATION (US) 1998-12-03 — — 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 (4 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 CHRM5 4536/4885CHRM1 4467/4885CHRM3 4610/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 CHRM5 3007/4885CHRM1 2485/4885CHRM3 1802/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CHRM5 4426/4885CHRM1 4172/4885CHRM3 4216/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR CHRM5 281/4885CHRM1 895/4885CHRM3 384/4885

“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.