SCHEMBL5549540

SCHEMBL5549540

FC(F)(F)c1nnnn1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
CACNA1B Q00975 2/20 0.51
APBA1 Q02410 2/20 0.51
HSP90AA1 P07900 1/20 0.51
LMNA P02545 5/20 0.50
CCR6 P51684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NOTUM Q6P988 1/20 0.44
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2005150 0.84 MAPT (0.72) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL310917 0.82 ALDH1A1 (0.47) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL5551503 0.82 ALDH1A1 (0.70) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL6100503 0.82 ALDH1A1 (0.47) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL4408113 0.81 ALDH1A1 (0.68) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL24469790 0.78 HTT (0.44) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL27662347 0.78 ALDH1A1 (0.44) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL4216728 0.78 SMN1; SMN2 (0.55) HTTALDH1A1MAPTHPGDCACNA1B
SCHEMBL27643287 0.78 ALDH1A1 (0.44) L3MBTL1HTTALDH1A1MAPTHPGD
SCHEMBL1971628 0.77 HPGD (0.49) L3MBTL1HTTALDH1A1MAPTHPGD

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 11 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
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
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 L3MBTL1 4817/4885HTT 1399/4885ALDH1A1 608/4885

“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.