SCHEMBL574744

SCHEMBL574744

[CH]1NCc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
PARP1 P09874 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.31
AHR P35869 1/20 0.30
PDK2 Q15119 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31020316 0.78 OXTR (0.48) OXTRGAANPSR1MAOBMAOA
SCHEMBL186955 0.71
SCHEMBL30484685 0.71
SCHEMBL11352918 0.71 PNMT (0.39) GAANPSR1PNMTHTR2CAHR
SCHEMBL519470 0.70 OXTR (0.53) OXTRGAANPSR1MAOBMAOA
Formaldehyde SCHEMBL28963673 0.67 OXTR (0.45) OXTRGAANPSR1MAOBMAOA
SCHEMBL879092 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA
SCHEMBL21766748 0.64 OXTR (0.47) OXTRGAANPSR1MAOBMAOA
SCHEMBL29356240 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA
SCHEMBL17969084 0.64 OXTR (1.00) OXTRGAANPSR1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO claimed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP claimed
CN-109790164-B Purine and 3-deazapurine analogues as choline kinase inhibitors 内尔维亚诺医疗科学公司 2022-01-25 CN claimed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US claimed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP claimed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN claimed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 WO claimed
US-20070123543-A1 Novel compounds ASTRAZENECA AB (SE) 2007-05-31 US claimed
JP-2007513151-A 2007-05-24 JP claimed
EP-1699803-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005054249-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-16 WO claimed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US claimed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US claimed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP claimed
US-20240217969-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-07-04 US disclosed
US-20240209439-A1 NUCLEOTIDE ANALOGUE FOR SEQUENCING BGI SHENZHEN (CN) 2024-06-27 US disclosed
US-20240208994-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
WO-1994029295-A1 HETEROCYCLIC DERIVATIVES WITH IMMUNOMODULATING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-22 WO disclosed
US-4252804-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS METABIO-JOULLIE (FR) 1981-02-24 US disclosed
US-4252804-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS METABIO-JOULLIE (FR) 1981-02-24 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 (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-20240209439-A1 NUCLEOTIDE ANALOGUE FOR SEQUENCING NT5C3B, NT5E, NUDT1 OXTR 3538/4885GAA 1506/4885NPSR1 1397/4885
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 OXTR 723/4885GAA 171/4885NPSR1 463/4885
US-20240208994-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 OXTR 2882/4885GAA 1244/4885NPSR1 2119/4885
US-20070123543-A1 Novel compounds C1R, CHRM2, CHRM1 OXTR 685/4885GAA 2499/4885NPSR1 42/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM OXTR 1954/4885GAA 146/4885NPSR1 1699/4885
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH OXTR 3582/4885GAA 3464/4885NPSR1 4248/4885
US-20240217969-A1 SUBSTITUTED PYRROLE CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS CDC7, CDK7, CDK17 OXTR 4864/4885GAA 2466/4885NPSR1 4481/4885

“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.