SCHEMBL553084

SCHEMBL553084

CCC(=O)c1cc(Br)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.66
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALAD P13716 1/20 0.38
GAA P10253 1/20 0.37
DAO P14920 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15988671 0.83 GSK3B (0.70) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL15282434 0.81 GSK3B (0.68) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL27794744 0.81 ALAD (0.66) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL23617480 0.80 GSK3B (0.61) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL6784161 0.79 GSK3B (1.00) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL3752532 0.79 DAO (0.61) GSK3BCES2CES1SMN1; SMN2MAPT
SCHEMBL10513671 0.79 MAPT (0.47) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL15483705 0.79 GSK3B (0.59) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL12261095 0.78 GSK3B (0.41) GSK3BCES2CES1ALDH1A1LMNA
SCHEMBL13267640 0.78 MAPT (0.50) GSK3BCES2CES1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-08 US disclosed
EP-3271334-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP disclosed
WO-2016146602-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 WO disclosed
US-20150184307-A1 SILVER ELECTROPLATING SOLUTION DAIWA FINE CHEMICALS CO., LTD. (LABORATORY) (JP) 2015-07-02 US disclosed
EP-2881497-A1 ELECTROSILVER PLATING FLUID Daiwa Fine Chemicals Co., Ltd. (JP) 2015-06-10 EP disclosed
CN-104185635-A Tetrahydropyrrolothiazine compounds LILLY CO ELI 2014-12-03 CN disclosed
CN-101605775-B Substituted 3-phenyl-1-(phenylthienyl)propan-1-one and 3-phenyl-1-(phenylfuranyl)propan-1-one derivatives, and preparation and use of same GENFIT FR 2014-11-12 CN disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
CN-102762551-A Thienylpyri (mi) dinylpyrazoles and their use for controlling phytopathogenic fungi BAYER CROPSCIENCE AG 2012-10-31 CN disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
CN-1423645-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
EP-0777655-B1 PROCESS FOR PREPARING CHIRAL TETRACYCLIC DOPAMINERGIC COMPOUNDS ABBOTT LAB (US) 2001-01-10 EP disclosed
US-5659037-A FROM VERATROL DERIVATIVE CHIRAL STARTING MATERIAL USING SERIES OF CHIRAL-PRESERVING REACTIONS ABBOTT LABORATORIES (US) 1997-08-19 US disclosed
EP-0777655-A1 PROCESS FOR PREPARING CHIRAL TETRACYCLIC DOPAMINERGIC COMPOUNDS Abbott Laboratories (US) 1997-06-11 EP disclosed
WO-1996006085-A1 PROCESS FOR PREPARING CHIRAL TETRACYCLIC DOPAMINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1996-02-29 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 (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-10117864-B2 Substituted N-bicyclo-2-aryl-quinolin-4-carboxamides and use thereof AADAC, BRD4, GOT2 GSK3B 3321/4885CES2 131/4885CES1 286/4885
US-20180036300-A1 SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF AADAC, BRD4, GOT2 GSK3B 3321/4885CES2 131/4885CES1 286/4885

“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.