SCHEMBL4615134

SCHEMBL4615134

COc1ccccc1CI

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
CHRM2 P08172 4/20 0.55
CHRM1 P11229 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48

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
SCHEMBL24459267 0.83 HTR7 (0.49) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL8490782 0.82 TAAR1 (0.64) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL83159 0.81 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL17420764 0.80 SMN1; SMN2 (0.50) CA1CA2CA12CA14ALDH1A1
SCHEMBL28858018 0.80 TAAR1 (0.75) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL3296809 0.80 IDO1 (0.61) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL17266361 0.79 IDO1 (0.41) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL29138530 0.78 IDO1 (0.46) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL27583392 0.78 IDO1 (0.59) IDO1TAAR1CHRM2CHRM1CA1
SCHEMBL17939 0.78 IDO1 (0.59) IDO1TAAR1CHRM2CHRM1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113603682-B Dicyanomethylene-4H-pyran molecules with AIE effect, construction method and application 华东理工大学 2024-07-26 CN disclosed
WO-2024005209-A1 1,4-CINEOLE DERIVATIVE AND INTERMEDIATE THEREOF, HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT, METHOD FOR USING HERBICIDE, AND METHOD FOR PREPARING AGROCHEMICAL COMPOSITION 北興化学工業株式会社 2024-01-04 WO disclosed
US-11339146-B2 Compositions and methods for viral sensitization Ottawa Hospital Research Institute and University of Ottawa (CA) 2022-05-24 US disclosed
CN-113603682-A dicyanomethylene-4H-pyran molecule with AIE effect, construction method and application 华东理工大学 2021-11-05 CN disclosed
EP-3845531-A1 SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Applied Pharmaceutical Science, Inc. (CN) 2021-07-07 EP disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 WO disclosed
CN-110218182-B IDO inhibitors 南京亘泰医药技术有限公司 2021-01-26 CN disclosed
US-20200354351-A1 COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2020-11-12 US disclosed
US-10633470-B2 Method of producing a conjugated diene polymer, a modified conjugated diene polymer, and a vinyl cis-polybutadiene composition UBE INDUSTRIES, LTD. (JP) 2020-04-28 US disclosed
US-10508163-B2 Conjugated diene polymer and modified conjugated diene polymer produced using the same, rubber composition for tire, and rubber composition for rubber belt UBE INDUSTRIES, LTD. (JP) 2019-12-17 US disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
CN-1132756-A Antiviral ethers of aspartate protease substrate isosteres CIBA GEIGY AG (CH) 1996-10-09 CN disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN disclosed
EP-0291327-A2 Aryl-substituted naphthalene, benzoxepine, benzazepine and benzocycloheptene derivatives SCHERING CORPORATION (US) 1988-11-17 EP disclosed
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 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 (2 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-11339146-B2 Compositions and methods for viral sensitization CD4, CD74, HLA-DRB1 IDO1 1676/4885TAAR1 3601/4885CHRM2 4590/4885
US-20200354351-A1 COMPOSITIONS AND METHODS FOR VIRAL SENSITIZATION CD4, CD74, HAVCR2 IDO1 2212/4885TAAR1 3755/4885CHRM2 4652/4885

“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.