SCHEMBL244162

SCHEMBL244162

O=c1[nH]c2cc(F)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.61
NOS3 P29474 3/20 0.61
NOS2 P35228 3/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
ADRA2A P08913 1/20 0.61
TSHR P16473 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
OGT O15294 1/20 0.53
PDE3B Q13370 2/20 0.53
PDE3A Q14432 2/20 0.53
KMO O15229 1/20 0.50
GPR55 Q9Y2T6 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
PPM1D O15297 1/20 0.43
DAO P14920 3/20 0.41
DDO Q99489 1/20 0.41

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
SCHEMBL30567360 1.00 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL17260653 0.85 PDE3B (0.69) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL2149352 0.84 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL17114093 0.80 TDO2 (0.51) PDE3BPDE3A
SCHEMBL1202554 0.77 F2 (0.56) LMNAKDM4EDAO
SCHEMBL6590435 0.77 GABRP (0.47) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL30639060 0.77 F2 (0.56) LMNAKDM4EDAO
Chlorzoxazone SCHEMBL35178 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL240915 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL5543509 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 US disclosed
CN-115246795-B Isoxazoline compound containing ether structure at 4-phenyl para-position, preparation method thereof and application thereof as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-01-02 CN disclosed
CN-117304205-A Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof 中国科学院广州生物医药与健康研究院 2023-12-29 CN disclosed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
CN-115246795-A Isoxazoline compound with 4-phenyl para-position containing ether structure, preparation thereof and application thereof as insecticide and bactericide 瑞普(天津)生物药业有限公司 2022-10-28 CN disclosed
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 EP disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20200377457-A1 MIF MODULATORS UNIV YALE (US) 2020-12-03 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
EP-1316550-A1 6-Acylamino-5-substituted-benzoxazol-2-one compounds and method for using them EASTMAN KODAK COMPANY (US) 2003-06-04 EP disclosed
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
US-6515176-B1 Disclosed is a 6-acylamino-5-substituted-benzoxazol-2-one compound having the structural formula I: Also disclosed is a method for forming a cyan dye-forming coupler from the above compound. The method and intermediate with a simplified EASTMAN KODAK COMPANY 2003-02-04 US disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO disclosed
EP-0385664-B1 Antiinflammatory benzoxazolones PFIZER (US) 1994-01-12 EP disclosed
US-5149821-A Process and intermediates for optically active 3-formyltetrahydropyrans PFIZER INC (US) 1992-09-22 US disclosed
US-5086062-A Inhibitors of lipoxygenase and-or cyclooxygenase enzymes PFIZER INC. (US) 1992-02-04 US disclosed
EP-0385664-A2 Antiinflammatory benzoxazolones PFIZER INC. (US) 1990-09-05 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX NOS1 543/4885NOS3 1546/4885NOS2 1458/4885
US-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 NOS1 492/4885NOS3 486/4885NOS2 283/4885
US-20200377457-A1 MIF MODULATORS MIF, HMGB2, HMGB3 NOS1 492/4885NOS3 486/4885NOS2 283/4885
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 NOS1 2757/4885NOS3 2913/4885NOS2 3559/4885
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 NOS1 3304/4885NOS3 2795/4885NOS2 3353/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 NOS1 492/4885NOS3 486/4885NOS2 283/4885

“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.