SCHEMBL514658

SCHEMBL514658

COCc1ccc(I)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
IDO1 P14902 2/20 0.58
APP P05067 17/20 0.57

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
SCHEMBL134443 0.86 IDO1 (0.46) IDO1APP
SCHEMBL13622041 0.80 CYP3A4 (0.54) CYP3A4IDO1APP
SCHEMBL20987949 0.79 IDO1 (0.38) CYP3A4IDO1APP
SCHEMBL22711528 0.79 PTGS2 (0.41) CYP3A4IDO1APP
SCHEMBL8020885 0.78 ESR1 (0.48) CYP3A4IDO1APP
SCHEMBL508682 0.78 CYP3A4 (0.64) CYP3A4IDO1APP
SCHEMBL9679767 0.78 TSHR (0.52) IDO1APP
SCHEMBL198803 0.78 ERN1 (0.47) IDO1
SCHEMBL11310162 0.78 ESR1 (0.48) CYP3A4IDO1APP
SCHEMBL12378 0.76 AGXT (0.61) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176049-A None JP disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO 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
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-11046696-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US 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
US-11008324-B2 2021-05-18 US disclosed
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 US disclosed
US-20110092668-A1 AZIDE FUNCTIONALIZED PEPTIDE TARGETING GROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2011-04-21 US disclosed
US-20110021718-A1 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES (US) 2011-01-27 US disclosed
EP-2077266-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-08 EP disclosed
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT MSD K.K. (JP) 2008-04-17 US disclosed
US-5945501-A Epoxy resin compositions including novel phenol novolak condensates produced from bis(methoxymethyl)biphenyls UBE INDUSTRIES, LTD. (JP) 1999-08-31 US disclosed
US-5612442-A Phenol novolak condensate and bis(methoxymethyl)biphenyl for production thereof UBE INDUSTRIES, LTD. (JP) 1997-03-18 US disclosed
JP-H08176049-A PRODUCTION OF METHOXYMETHYLIODOBENZENE UBE IND LTD 1996-07-09 JP disclosed
EP-0003261-B1 OXADITHIADIAZAPENTALENES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS CONTAINING THEM AND THE CONTROL OF FUNGI USING THEM CHEVRON RESEARCH COMPANY (US) 1981-12-30 EP disclosed
US-4179441-A REACTING SULFUR HALIDE WITH N-CYANOMETHYLCARBOXAMIDE; CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-12-18 US disclosed
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 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 (6 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-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 CYP3A4 662/4885IDO1 1260/4885APP 2620/4885
US-11046696-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 CYP3A4 4736/4885IDO1 4046/4885APP 3530/4885
US-11008324-B2 RET, GFRA1, GFRA2 CYP3A4 4870/4885IDO1 3860/4885APP 3884/4885
US-20110092668-A1 AZIDE FUNCTIONALIZED PEPTIDE TARGETING GROUPS IAPP, NGLY1, MSN CYP3A4 4782/4885IDO1 2687/4885APP 105/4885
US-20080090799-A1 2-PYRIDINECARBOXAMIDE DERIVATIVE HAVING GK-ACTIVATING EFFECT GCKR, GCK, GPR119 CYP3A4 1668/4885IDO1 3950/4885APP 4715/4885
US-20210169911-A1 PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS NUDT1, NTPCR, NT5C2 CYP3A4 3981/4885IDO1 375/4885APP 3263/4885

“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.