SCHEMBL4408113

SCHEMBL4408113

FC(F)(F)c1nnnn1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.68
MAPT P10636 5/20 0.68
HTT P42858 4/20 0.68
HPGD P15428 3/20 0.68
CACNA1B Q00975 2/20 0.68
APBA1 Q02410 2/20 0.68
CCR6 P51684 1/20 0.68
NPSR1 Q6W5P4 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL4405847 0.85 ALDH1A1 (0.64) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL10977161 0.82 ALDH1A1 (0.70) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL5551503 0.81 ALDH1A1 (0.70) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL6100503 0.81 ALDH1A1 (0.47) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL5549540 0.81 L3MBTL1 (0.52) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL310917 0.81 ALDH1A1 (0.47) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL8464852 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL4407904 0.81 ALDH1A1 (0.68) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL2006114 0.81 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDCACNA1B
SCHEMBL4407371 0.81 ALDH1A1 (0.79) ALDH1A1MAPTHTTHPGDCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101270097-B Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO BOSEKI 2011-04-13 CN disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
CN-100424069-C Preparation method of N-aryl-2, 2, 2-trifluoro acetimidoyl chloride TOYO KASEI KOGYO CO LTD (JP) 2008-10-08 CN disclosed
CN-101270097-A Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO CO LTD (JP) 2008-09-24 CN disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
CN-1863765-A Preparation method of 1-aryl-5- (trifluoromethyl) -1H-tetrazole TOYO KASEI KOGYO CO LTD (JP) 2006-11-15 CN disclosed
EP-1671945-A1 PROCESS FOR PRODUCTION OF 1-ARYL-5-(TRIFLUOROMETHYL)-1H- TETRAZOLES Toyo Kasei Kogyo Company Limited (JP) 2006-06-21 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 (1 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-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH ALDH1A1 608/4885MAPT 3643/4885HTT 1399/4885

“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.