SCHEMBL2006163

SCHEMBL2006163

Cc1cc(C(F)(F)C(F)(F)F)cc(C)c1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5958671 0.86 POLB (0.48) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL698233 0.84 POLB (0.46) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL9861493 0.82 POLB (0.45) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL5958703 0.82 POLB (0.45) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL5958687 0.82 POLB (0.45) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL11306411 0.82 POLB (0.45) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL9154318 0.80 POLB (0.52) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL698408 0.80 POLB (0.52) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL532346 0.79 POLB (0.56) POLBALDH1A1TDP1CYP3A4TSHR
SCHEMBL22927054 0.78 PTPN5 (0.35) POLBALDH1A1CYP3A4TSHRSMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2535327-A1 Insecticidal 3-acylaminobenzanilides Bayer CropScience AG (DE) 2012-12-19 EP disclosed
US-7964735-B2 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2011-06-21 US disclosed
US-7799738-B2 Insecticidal 2-acylaminothiazole-4-carboxamides BAYER CROPSCIENCE AG (DE) 2010-09-21 US disclosed
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20080300136-A1 Insecticidal 2-Acylaminothiazole-4-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-12-04 US disclosed
EP-1912933-A1 INSECTICIDAL 3-ACYLAMINOBENZANILIDES Bayer CropScience AG (DE) 2008-04-23 EP disclosed
WO-2007017075-A1 INSECTICIDAL 3-ACYLAMINOBENZANILIDES BAYER CROPSCIENCE AG (DE) 2007-02-15 WO disclosed
EP-1006102-B1 Process for the production of perfluoroalkylated aniline derivatives NIHON NOHYAKU CO LTD (JP) 2006-08-30 EP disclosed
US-6717013-B2 EASILY ATTAINED WITH HIGH POSITIONAL SELECTIVITY AND YIELD; INTERMEDIATES AND RAW MATERIALS NIHON NOHYAKU CO., LTD. (JP) 2004-04-06 US disclosed
EP-1380568-A2 Perfluoroalkylaniline derivatives NIHON NOHYAKU CO., LTD. (JP) 2004-01-14 EP disclosed
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2003-10-30 US disclosed
US-6600074-B2 Useful as intermediates or raw materials for the synthesis of agricultural chemicals, pharmaceuticals NIHON NOHYAKU CO., LTD. (JP) 2003-07-29 US disclosed
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2002-12-26 US disclosed
EP-1006102-A2 Aniline derivative and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2000-06-07 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 (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-20080300136-A1 Insecticidal 2-Acylaminothiazole-4-Carboxamides AADAC, HDHD5, HRH4 POLB 4640/4885ALDH1A1 757/4885TDP1 4465/4885
US-20090215623-A1 Insecticidal 3-acylaminobenzanilides CBR3, AADAC, DDT POLB 4275/4885ALDH1A1 1739/4885TDP1 4540/4885
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 POLB 2228/4885ALDH1A1 722/4885TDP1 2818/4885
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 POLB 2228/4885ALDH1A1 722/4885TDP1 2818/4885

“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.