SCHEMBL5226315

SCHEMBL5226315

COc1ccc([N+](=O)[O-])cc1NC=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 5/20 0.59
POLB P06746 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.57
CRHBP P24387 3/20 0.56
CRHR2 Q13324 3/20 0.56
KCNMA1 Q12791 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 4/20 0.54
MAPK1 P28482 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
BLM P54132 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL30384717 1.00 SMN1; SMN2 (0.64) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL962472 0.88 HTT (0.62) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13212301 0.84 CYP19A1 (0.54) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL6074073 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL27976139 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL30311318 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL20302624 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL18549285 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL38652551 0.81 AKR1C3 (0.46) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1
SCHEMBL3248880 0.80 LMNA (0.69) SMN1; SMN2LMNAALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866307-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF Medical Technology Acceleration Program, Inc. (US) 2007-12-19 EP claimed
US-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. 2007-03-29 US claimed
WO-2006102642-A1 SYNTHESIS OF PYRROLOQUINOLINE QUINONE (PQQ) CLF MEDICAL TECHNOLOGY ACCELERATION PROGRAM, INC. (US) 2006-09-28 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-4725554-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2026-04-15 EP disclosed
US-RE50528-E1 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2025-08-12 US disclosed
EP-3929190-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORP (KR) 2024-12-25 EP disclosed
EP-4421069-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2024-08-28 EP disclosed
CN-111686110-B Compounds and compositions for modulating EGFR mutant kinase activity 株式会社柳韩洋行 2023-06-16 CN disclosed
EP-3929190-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2021-12-29 EP disclosed
EP-3604294-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORP (KR) 2021-05-05 EP disclosed
WO-2001012593-A1 ARYLSULFONANILIDE DERIVATIVES TULARIK INC. (US) 2001-02-22 WO disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-6153585-A FOR TREATING CANCER, PSORIASIS, VASCULAR RESTENOSIS, INFECTIONS, ATHEROSCLEROSIS AND HYPERCHOLESTEROLEMIA TULARIK INC. (US) 2000-11-28 US disclosed
WO-2000017159-A1 ARYLSULFONANILIDE UREAS TULARIK INC. (US) 2000-03-30 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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 (1 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-20070072894-A1 Synthesis of pyrroloquinoline quinone (PQQ) QPCT, SYNCRIP, SFPQ SMN1; SMN2 2221/4885LMNA 3535/4885ALDH1A1 3446/4885

“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.