SCHEMBL791970

SCHEMBL791970

COCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
IDO1 P14902 2/20 0.64
AGXT P21549 2/20 0.64
PNMT P11086 2/20 0.54
MAOB P27338 4/20 0.53
ENPP2 Q13822 1/20 0.51
TAAR1 Q96RJ0 3/20 0.50
MAOA P21397 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL487468 0.84 IDO1 (0.48) CYP3A4IDO1AGXTMAOB
SCHEMBL10296002 0.83 CYP3A4 (0.60) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL22519891 0.83 CYP3A4 (0.55) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL28404628 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL10866481 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL1855225 0.80 CYP3A4 (0.67) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL30487714 0.79 CYP3A4 (0.60) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL3096336 0.79 TAAR1 (0.57) CYP3A4IDO1AGXTPNMTTAAR1
SCHEMBL30385 0.79 CYP3A4 (0.60) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL20347891 0.78 TSHR (0.46) CYP3A4IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632892-B1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2024-07-31 EP disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
CN-110799490-B 3-arylpropionamide compound and method for producing 3-arylpropionate compound 住友化学株式会社 2023-05-02 CN disclosed
US-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-10 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
US-6790989-B2 Inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-09-14 US disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
US-20020137686-A1 Inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-09-26 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
EP-0021759-B1 5-SUBSTITUTED OXAZOLIDINES HAVING HERBICIDE ANTIDOTE ACTIVITY, PRODUCTION THEREOF, HERBICIDAL COMPOSITIONS CONTAINING THEM, USE THEREOF IN PREVENTING INJURY TO CROPS AND CROP SEEDS COATED THEREWITH STAUFFER CHEMICAL COMPANY (US) 1984-09-26 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 (7 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-20020137686-A1 Inhibitors of the ICE/ced-3 family of cysteine proteases CASP1, AIFM1, IAPP CYP3A4 4592/4885IDO1 101/4885AGXT 2177/4885
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT CYP3A4 310/4885IDO1 199/4885AGXT 533/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 CYP3A4 171/4885IDO1 67/4885AGXT 628/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 CYP3A4 331/4885IDO1 1021/4885AGXT 712/4885
US-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS NUDT1, NTPCR, NT5C2 CYP3A4 3981/4885IDO1 375/4885AGXT 1671/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP3A4 4363/4885IDO1 2152/4885AGXT 1488/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 CYP3A4 350/4885IDO1 1034/4885AGXT 378/4885

“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.