SCHEMBL2201058

SCHEMBL2201058

Nc1ccc(F)cc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ABL1 P00519 3/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
CHRM3 P20309 1/20 0.35
KMO O15229 2/20 0.35
AHR P35869 1/20 0.34
ESR2 Q92731 1/20 0.34
KEAP1 Q14145 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL597055 0.87 AHR (0.48) ALDH1A1CYP3A4TSHRMAPK1ABL1
SCHEMBL29962749 0.87 AHR (0.48) ALDH1A1CYP3A4TSHRMAPK1ABL1
SCHEMBL3388331 0.86 PTGS2 (0.46) ALDH1A1CYP3A4TSHRMAPK1PTGS2
Hydrochloric Acid SCHEMBL31475438 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1ABL1
Hydrochloric Acid SCHEMBL31475434 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1ABL1
Hydrochloric Acid SCHEMBL31475440 0.86 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRMAPK1ABL1
SCHEMBL2503083 0.83 ALDH1A1 (0.50) ALDH1A1ABL1PTGS2PTGS1ALOX5AP
SCHEMBL3904951 0.80 FEN1 (0.51) ALDH1A1TSHRPTGS2PTGS1ALOX5AP
SCHEMBL28413084 0.79 KDM4E (0.47) ALDH1A1CYP3A4ALOX5APFEN1KMO
SCHEMBL3950704 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRMAPK1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640707-B1 5-HALOGENOPYRAZOLECARBOXAMIDES BAYER IP GMBH (DE) 2017-03-15 EP disclosed
US-9375004-B2 5-halogenopyrazolecarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-8580971-B2 Alkyl-analide producing method BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-8580971-B2 Alkyl-analide producing method BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-8580971-B2 Alkyl-analide producing method BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-20130296269-A1 5-Halogenopyrazolecarboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 US disclosed
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-7977363-B2 Fungicides/bactericides for plant protection; exhibit a strong fortifying effect in plants; for controlling cereal diseases against Puccinia species, and diseases in viticulture and fruit and vegetable production against Botrytis, Venturia or Alternaria species; low toxicity; tolrerance BAYER CROPSCIENCE AG (DE) 2011-07-12 US disclosed
US-20090118346-A1 Alkyl-Analide Producing Method BAYER CROPSCIENCE AG (DE) 2009-05-07 US disclosed
US-20090069398-A1 Pyrazolyl Carboxamides BAYER CROPSCIENCE AG (DE) 2009-03-12 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 US disclosed
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-10-02 US disclosed
EP-1856054-B1 PYRAZOLYLCARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2008-09-17 EP disclosed
EP-1856054-B1 PYRAZOLYLCARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2008-09-17 EP disclosed
EP-1856054-A1 PYRAZOLYLCARBOXANILIDES Bayer CropScience AG (DE) 2007-11-21 EP disclosed
EP-1786794-A2 BIPHENYL-THIAZOLO-CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2007-05-23 EP disclosed
WO-2006092213-A1 PYRAZOLYLCARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2006-09-08 WO disclosed
WO-2006024387-A2 BIPHENYL-THIAZOLO-CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-03-09 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 (4 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-20130296269-A1 5-Halogenopyrazolecarboxamides CYP3A5, CBR3, HDHD5 ALDH1A1 3455/4885CYP3A4 20/4885TSHR 2190/4885
US-20090118346-A1 Alkyl-Analide Producing Method DCXR, MRPL21, APC ALDH1A1 106/4885CYP3A4 19/4885TSHR 3122/4885
US-20080242708-A1 Biphenyl-Thiazolo-Carboxamides MRPL21, CBR3, NAT1 ALDH1A1 123/4885CYP3A4 30/4885TSHR 28/4885
US-20090069398-A1 Pyrazolyl Carboxamides MRPL21, AADAC, PGLS ALDH1A1 709/4885CYP3A4 31/4885TSHR 3415/4885

“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.