SCHEMBL5696271

SCHEMBL5696271

O=C(NOCc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
EPHX2 P34913 2/20 0.48
TAAR1 Q96RJ0 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
SLC1A3 P43003 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7498475 0.88 RAB9A (0.63) NPC1RAB9ATAAR1GAAALDH1A1
SCHEMBL9435734 0.84 ALDH1A1 (0.62) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL9592617 0.82 RAB9A (0.57) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL29429363 0.81 NPC1 (0.62) NPC1RAB9AEPHX2ALDH1A1CA12
SCHEMBL9571959 0.81 NPC1 (0.62) NPC1RAB9AEPHX2ALDH1A1CA12
SCHEMBL7764162 0.81 CA12 (0.65) NPC1RAB9AALDH1A1CA12CA1
SCHEMBL15235846 0.80 RAB9A (0.49) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL1990363 0.79 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1CA12
SCHEMBL295136 0.79 NPC1 (0.69) NPC1RAB9AEPHX2ALDH1A1
SCHEMBL1349741 0.77 NPC1 (0.57) NPC1RAB9AGAAALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
CN-116375607-A Hydrazine compound and preparation method and application thereof 南京信息工程大学 2023-07-04 CN disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 US disclosed
CN-115745847-A N-N compound and coupling preparation method thereof 安徽秀朗新材料科技有限公司 2023-03-07 CN disclosed
US-11044911-B2 Phenoxyurea compound and pest control agent NIPPON SODA CO., LTD. (JP) 2021-06-29 US disclosed
US-20210051960-A1 PHENOXYUREA COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2021-02-25 US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2019198592-A1 PHENOXYUREA COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2019-10-17 WO disclosed
US-20130231479-A1 ARYLOXYUREA COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. 2013-09-05 US disclosed
EP-2628724-A1 ARYLOXYUREA COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2013-08-21 EP disclosed
US-20060241293-A1 Process for production n,n',n\"- trisubstituted isocyanuric acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-26 US disclosed
CN-1845910-A Process for production n,n',n''- trisubstituted isocyanuric acids DAICEL CHEM (JP) 2006-10-11 CN disclosed
EP-1666470-A1 PROCESS FOR PRODUCTION OF N,N';N''-TRISUBSTITUTED ISOCYANURIC ACIDS Daicel Chemical Industries, Ltd. (JP) 2006-06-07 EP disclosed
CN-1225088-A Carbamoyltetrazolinones and herbicides NISSON CHEMICAL IND LTD (JP) 1999-08-04 CN disclosed
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-4258050-A SYNERGISTS FOR PENICILLINS, CEPHALOSPORINS BEECHAM GROUP LIMITED (GB) 1981-03-24 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 (5 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 NPC1 3492/4885RAB9A 1071/4885EPHX2 3518/4885
US-20130231479-A1 ARYLOXYUREA COMPOUND AND PEST CONTROL AGENT DDT, FOXO3, PNPO NPC1 3991/4885RAB9A 1452/4885EPHX2 1154/4885
US-20210051960-A1 PHENOXYUREA COMPOUND AND PEST CONTROL AGENT H1-0, H1-4, H1-3 NPC1 1775/4885RAB9A 505/4885EPHX2 942/4885
US-11044911-B2 Phenoxyurea compound and pest control agent H1-0, H1-4, H1-3 NPC1 1775/4885RAB9A 505/4885EPHX2 942/4885
US-20060241293-A1 Process for production n,n',n\"- trisubstituted isocyanuric acids NANS, NOS2, FASN NPC1 720/4885RAB9A 1279/4885EPHX2 848/4885

“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.