SCHEMBL2647221

SCHEMBL2647221

COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
PKM P14618 2/20 0.44
NPC1 O15118 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
LMNA P02545 3/20 0.43

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
SCHEMBL2652910 0.84 AKR1C3 (0.53) AKR1C3AKR1C2ALDH1A1MAPTHTT
SCHEMBL16950726 0.84 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTHTT
SCHEMBL14744562 0.84 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1MAPTHTT
SCHEMBL570064 0.84 TDP1 (0.57) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9234021 0.84 ALDH1A1 (0.52) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL28255798 0.83 CYP1A2 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL17182678 0.82 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1MAPTHTT
SCHEMBL6686530 0.82 POLB (0.45) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL27547838 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL5629080 0.81 MAPT (0.53) ALDH1A1MAPTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-05-21 US disclosed
US-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2025-07-10 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20240002354-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2024-01-04 US disclosed
CN-116472273-A Antidiabetic compounds and compositions 宁康瑞珠生物制药(珠海)有限公司 2023-07-21 CN disclosed
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO 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 (8 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 AKR1C3 3142/4885AKR1C2 3361/4885ALDH1A1 3685/4885
US-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF CASP1, CASP3, BAD AKR1C3 546/4885AKR1C2 729/4885ALDH1A1 1186/4885
US-20250223281-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS GPR119, GLP1R, GPR65 AKR1C3 1551/4885AKR1C2 1291/4885ALDH1A1 2556/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR AKR1C3 2513/4885AKR1C2 1473/4885ALDH1A1 3968/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1C3 2346/4885AKR1C2 1295/4885ALDH1A1 4046/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1C3 2513/4885AKR1C2 1473/4885ALDH1A1 3968/4885
US-20240002354-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS GPR119, GLP1R, GPR65 AKR1C3 1841/4885AKR1C2 1215/4885ALDH1A1 1895/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR AKR1C3 2346/4885AKR1C2 1295/4885ALDH1A1 4046/4885

“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.