SCHEMBL1744667

SCHEMBL1744667

O=C(c1ccc(Cl)cc1)c1ccc(CBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
MAPK1 P28482 1/20 0.57
GSK3B P49841 2/20 0.55
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
VNN1 O95497 2/20 0.51
HPGD P15428 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL9541276 0.89 CES2 (0.61) SRD5A2CES2CES1HPGDALDH1A1
SCHEMBL187134 0.89 CES2 (0.61) SRD5A2CES2CES1HPGDALDH1A1
SCHEMBL11464002 0.83 SRD5A2 (0.61) SRD5A2MAPK1GSK3BCES2CES1
SCHEMBL9065883 0.83 SRD5A2 (0.61) SRD5A2MAPK1GSK3BCES2CES1
SCHEMBL7015547 0.82 SRD5A2 (0.47) SRD5A2MAPK1GSK3BCES2CES1
SCHEMBL2931832 0.82 CES2 (0.51) CES2CES1VNN1ALOX15L3MBTL1
SCHEMBL1766 0.82
SCHEMBL9065412 0.82 SRD5A2 (0.80) SRD5A2MAPK1GSK3BCES2CES1
SCHEMBL51827 0.82 SRD5A2 (0.80) SRD5A2MAPK1GSK3BCES2CES1
SCHEMBL10697158 0.82 SRD5A2 (0.80) SRD5A2MAPK1GSK3BCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US disclosed
EP-2121616-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS Campiani, Giuseppe (IT) 2009-11-25 EP disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
WO-2008101891-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2008-08-28 WO disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed
EP-0742202-A2 Benzophenone hydrazone derivatives as insecticides NIHON BAYER AGROCHEM K.K. (JP) 1996-11-13 EP disclosed
WO-1996033168-A1 BENZYLSULFIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND PESTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-10-24 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed
EP-0333291-B1 Benzophenone derivatives OCTEL CHEM LTD (GB) 1994-08-10 EP disclosed
EP-0151529-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1991-09-18 EP disclosed
US-4948819-A Benzophenone quaternary ammonium linked (meth)acrylates, photocurable and photocured products, and method of coating WARD BLENKINSOP & COMPANY LIMITED (GB) 1990-08-14 US disclosed
EP-0333291-A2 Benzophenone derivatives OCTEL CHEMICALS LIMITED (GB) 1989-09-20 EP disclosed
US-4590201-A ANTICOCCIDIAL AGENT FOR ANIMALS PARTICULARLY FOR POULTRY MERCK & CO., INC. (US) 1986-05-20 US disclosed
EP-0151529-A2 5-(Amino or substituted amino)-1,2,3-triazoles MERCK & CO. INC. (US) 1985-08-14 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 SRD5A2 4696/4885MAPK1 2945/4885GSK3B 4033/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR SRD5A2 1727/4885MAPK1 1667/4885GSK3B 4750/4885

“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.