SCHEMBL490893

SCHEMBL490893

COc1ccc(CC[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.56
KCNH2 Q12809 1/20 0.56
TAAR1 Q96RJ0 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
F2RL1 P55085 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAOB P27338 2/20 0.47
CALM1 P0DP23 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
AOC3 Q16853 1/20 0.46
IDO1 P14902 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
SCHEMBL7051536 0.89 KCNJ1 (0.54) KCNJ1KCNH2TAAR1SIGMAR1ALDH1A1
SCHEMBL6029221 0.84 FFAR1 (0.43) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL17541809 0.83 TSHR (0.46) KCNJ1KCNH2SIGMAR1ALDH1A1
SCHEMBL29225788 0.81 TSHR (0.40) KCNJ1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL9515359 0.81 CYP19A1 (0.46) KCNJ1KCNH2ALDH1A1NPC1MAPT
SCHEMBL9323722 0.80 IDO1 (0.48) KCNJ1KCNH2TAAR1ALDH1A1NPC1
SCHEMBL11739468 0.79 MMP12 (0.41) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8766421 0.79 TAAR1 (0.57) TAAR1SIGMAR1ALDH1A1MAPTAOC3
SCHEMBL509784 0.79 KCNH2 (0.49) KCNH2ALDH1A1NPC1RAB9AMAPT
SCHEMBL509897 0.78 FFAR1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305763-B1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS KYORIN SEIYAKU KK (JP) 2019-07-24 EP disclosed
EP-3305763-A1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed
EP-3075726-B1 UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FORMYL PEPTIDE RECEPTOR LIKE 1 (FPRL-1) AGONISTS KYORIN SEIYAKU KK (JP) 2017-11-08 EP disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
WO-2006136564-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.P.A. (IT) 2006-12-28 WO disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 US disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed
US-3935219-A Antimicrobial dihalonitromethylisoxazoles PURDUE RESEARCH LABORATORY (US) 1976-01-27 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 (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-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 KCNJ1 4841/4885KCNH2 2020/4885TAAR1 307/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 KCNJ1 4862/4885KCNH2 3984/4885TAAR1 391/4885

“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.