SCHEMBL2500495

SCHEMBL2500495

Nc1c(F)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.47
DHFR P00374 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
APP P05067 2/20 0.40
CYP1B1 Q16678 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL29911918 1.00 AHR (0.47) AHRDHFRPTGS2PTGS1ADORA1
SCHEMBL2497910 0.83 AHR (0.52) AHRDHFRADORA1NPC1RAB9A
SCHEMBL2493372 0.79 FEN1 (0.42) ALOX5APFEN1
SCHEMBL3780887 0.76 MAP4K4 (0.50) CYP3A4KDM4EALDH1A1MAPT
SCHEMBL30037345 0.75 GRIA4 (0.39) PTGS2PTGS1NPC1RAB9AAKR1C3
SCHEMBL2493688 0.75 ALOX5AP (0.44) PTGS2PTGS1ALOX5APFEN1
SCHEMBL2494255 0.75 AHR (0.45) AHRNPC1RAB9APSEN1PSEN2
SCHEMBL27195803 0.75 GRIA4 (0.39) PTGS2PTGS1NPC1RAB9AAKR1C3
SCHEMBL3787382 0.75 TAAR1 (0.45) NPC1RAB9AAPPCYP3A4ALDH1A1
SCHEMBL28170993 0.73 PTGER1 (0.48) AHRPTGER1PTGER3PTGER2EIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160226-A Method for preparing bixafen by one-step condensation method 欧阳建峰 2022-10-11 CN disclosed
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
EP-1490342-B1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-12-15 EP disclosed
EP-1490342-B1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-12-15 EP disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-7521397-B2 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
US-7329633-B2 Disubstituted pyrazolylcarboxanilides BAYER CROPSCIENCE AG (DE) 2008-02-12 US disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 US disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 US disclosed
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-17 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 WO disclosed
US-20060116414-A1 Disubstituted pyrazolyl carboxanilides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-06-01 US disclosed
EP-1490342-A1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES Bayer CropScience AG (DE) 2004-12-29 EP disclosed
WO-2003070705-A1 DISUBSTITUTED PYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-28 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 AHR 12/4885DHFR 1773/4885PTGS2 4153/4885
US-20060116414-A1 Disubstituted pyrazolyl carboxanilides MRPL21, RRS1, CBR3 AHR 458/4885DHFR 378/4885PTGS2 3485/4885
US-20080015244-A1 Disubstituted pyrazolyl carboxanilides MRPL21, CBR3, CBR1 AHR 621/4885DHFR 454/4885PTGS2 3168/4885

“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.