SCHEMBL7529485

SCHEMBL7529485

COc1ccc2cc(Br)ccc2c1.[MgH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.58
CYP1A2 P05177 1/20 0.58
FLT3 P36888 1/20 0.54
LMNA P02545 2/20 0.50
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
NCEH1 Q6PIU2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GSTP1 P09211 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
NCF1 P14598 1/20 0.46
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL227023 0.98 CYP2A6 (0.60) CYP2A6CYP1A2FLT3LMNAHSD17B1
SCHEMBL29967341 0.98 CYP2A6 (0.60) CYP2A6CYP1A2FLT3LMNAHSD17B1
Ammonia Solution, Strong SCHEMBL8045635 0.95 CYP2A6 (0.58) CYP2A6CYP1A2FLT3LMNAHSD17B1
Methyl Alcohol SCHEMBL29235760 0.93 FLT3 (0.57) CYP2A6CYP1A2FLT3LMNAHSD17B1
SCHEMBL3138744 0.93 CYP2A6 (0.61) CYP2A6CYP1A2FLT3LMNAHSD17B1
SCHEMBL9381604 0.88 CA12 (0.52) CYP2A6CYP1A2FLT3LMNAHSD17B1
SCHEMBL1758778 0.83 CYP2A6 (0.48) CYP2A6CYP1A2FLT3HSD17B1HSD17B2
SCHEMBL29447161 0.83 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL443070 0.83 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL1129092 0.81 HSD17B1 (0.66) CYP2A6CYP1A2HSD17B1HSD17B2GSTP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262845-A1 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE UNIV WYOMING (US) 2024-08-08 US disclosed
US-20240262844-A1 PYRIDINIUM SALTS AND METHODS OF USE UNIV WYOMING (US) 2024-08-08 US disclosed
WO-2024155935-A2 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE UNIVERSITY OF WYOMING (US) 2024-07-25 WO disclosed
EP-0920645-B1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INC (US) 2002-04-03 EP disclosed
WO-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed
US-6096246-A POLYMER LENSES WITH RADIATION RESISTANT NAPHTHOPYRAN MIXTURES CORNING INCORPORATED (US) 2000-08-01 US disclosed
EP-0920645-A4 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INC (US) 1999-08-25 EP disclosed
EP-0920645-A1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INCORPORATED (US) 1999-06-09 EP disclosed
WO-1998004937-A1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INCORPORATED (US) 1998-02-05 WO disclosed
US-4496755-A Optically active 1-(6-methoxy-2-naphthyl)-2-(alkoxycarbonyl) amino-1-propanone, its derivatives and their halo analogs and the methods for their manufacture SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-01-29 US disclosed
EP-0091757-A1 Optically active 1-(6-methoxy-2-naphthyl)-2-alkoxycarbonyl)amino-1-propanone, its derivatives and their halo anlogs, and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-10-19 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 (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-20240262845-A1 PYRIDINIUM SALTS, METHODS OF MAKING, AND METHODS OF USE KYNU, TPH1, AADAT CYP2A6 506/4885CYP1A2 1509/4885FLT3 692/4885
US-20240262844-A1 PYRIDINIUM SALTS AND METHODS OF USE KYNU, TPH1, AADAT CYP2A6 605/4885CYP1A2 1399/4885FLT3 626/4885

“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.