SCHEMBL46544

SCHEMBL46544

COc1ccccc1-c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
FYN P06241 1/20 0.54
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
XDH P47989 1/20 0.51
ALDH1A1 P00352 5/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DHFR P00374 1/20 0.50
MAP4K4 O95819 1/20 0.50
APP P05067 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48

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
Nitrogen SCHEMBL7510963 0.96 NCOA1 (0.53) NCOA1NCOA3FYNPTPRCPTPN1
SCHEMBL3786504 0.84 FYN (0.45) NCOA1NCOA3FYNXDHALDH1A1
Methylamine SCHEMBL28363123 0.83 ALDH1A1 (0.55) NCOA1NCOA3PTPRCPTPN1XDH
SCHEMBL24106783 0.83 ALDH1A1 (0.55) PTPRCPTPN1XDHALDH1A1L3MBTL1
SCHEMBL1271567 0.83 NCOA1 (0.71) NCOA1NCOA3FYNXDHALDH1A1
SCHEMBL2380627 0.82 CHEK1 (0.49) NCOA1NCOA3FYNALDH1A1ADRA2B
SCHEMBL28222892 0.82 CYP19A1 (0.53) NCOA1NCOA3FYNALDH1A1MAPT
SCHEMBL294721 0.82 ALDH1A1 (0.58) NCOA1NCOA3PTPRCPTPN1XDH
SCHEMBL30136447 0.82 ALDH1A1 (0.58) NCOA1NCOA3PTPRCPTPN1XDH
SCHEMBL11779256 0.82 NCOA1 (0.75) NCOA1NCOA3FYNALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101857587-A 2-aryl benzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and phrmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as an active ingredient SGU HOLDINGS CO LTD 2010-10-13 CN claimed
US-6946489-B2 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2005-09-20 US claimed
US-20040220241-A1 Substituted biphenyl derivatives MERCK PATENT GMBH (DE) 2004-11-04 US claimed
WO-2025100475-A1 COMPOSITION FOR IMAGE RECORDING AND METHOD FOR PRODUCING SAME キヤノン株式会社 2025-05-15 WO disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-7956185-B2 Cyclobut-3-ene-1,2,-dione inhibitors of polo-like kinases ABBOTT LABORATORIES (US) 2011-06-07 US disclosed
CN-101857587-A 2-aryl benzothiophene derivatives or pharmaceutically acceptable salts thereof, preparation method thereof, and phrmaceutical composition for the diagnosis or treatment of degenerative brain disease containing the same as an active ingredient SGU HOLDINGS CO LTD 2010-10-13 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
US-5389489-A Support having coating layer with microcapsules containing leuco dye and photooxidizing agent, reducing agent FUJI PHOTO FILM CO., LTD. (JP) 1995-02-14 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 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 (3 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-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI NCOA1 2616/4885NCOA3 2961/4885FYN 3235/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 NCOA1 2120/4885NCOA3 989/4885FYN 390/4885
US-20040220241-A1 Substituted biphenyl derivatives APOB, F2R, BDKRB1 NCOA1 142/4885NCOA3 403/4885FYN 2059/4885

“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.