SCHEMBL6561277

SCHEMBL6561277

N#Cc1cc(C(F)(F)F)[nH]c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DGAT1 O75907 1/20 0.39
SOAT1 P35610 1/20 0.39
KCNH2 Q12809 1/20 0.39
AR P10275 4/20 0.38
KDM5A P29375 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTPN5 P54829 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
DAO P14920 1/20 0.36
GSR P00390 1/20 0.36

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
SCHEMBL27633703 0.87 KDM4E (0.44) KIF11ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL10590631 0.85 AR (0.54) ALDH1A1CYP11B1CYP11B2ARKDM4E
SCHEMBL3893100 0.85 KDM4E (0.46) ALDH1A1TDP1ARKDM4E
SCHEMBL9390186 0.85 AR (0.54) KIF11AR
SCHEMBL3890191 0.85 PTGES (0.38) KIF11CYP11B1CYP11B2AR
SCHEMBL10590924 0.85 KIF11 (0.47) KIF11ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL9193868 0.85 MAOA (0.45) ALDH1A1MAPTSMN1; SMN2TDP1AR
Bromide SCHEMBL29618239 0.84 KDM4E (0.45) ALDH1A1TDP1ARKDM4E
SCHEMBL3893630 0.81 AR (0.40) ALDH1A1CYP11B2ARKDM4E
SCHEMBL3896879 0.80 KDM4E (0.35) ALDH1A1CYP11B1CYP11B2ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035113-B1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds BASF AG (DE) 2004-10-06 EP disclosed
EP-0934929-B1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-(arylmethylene)-1-chloro-1-(perfluoroalkyl) methylamine compounds BASF AG (DE) 2003-09-17 EP disclosed
US-6596902-B2 Useful for insecticides and the control of acarid pests; chemical intermediates in the preparation of arylpyrrole compounds such as chlorfenapyr BASF AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed
US-20020049338-A1 Process for the preparation of 2-aryl-5- (perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds AMERICAN CYANAMID COMPANY 2002-04-25 US disclosed
US-6320059-B1 REACTING N-(1-CHLORO-1-(PERFLUOROALKYL)METHYL)ARYLIMIDOYL CHLORIDE COMPOUND WITH DIENEOPHILE COMPOUND OR SUBSTITUTED HALOETHANE COMPOUND, AND BASE, IN PRESENCE OF SOLVENT AMERICAN CYANAMID COMPANY 2001-11-20 US disclosed
US-6133455-A INSECTICIDAL AND ACARICIDAL AGENTS; PREPARED FROM N-(ARYLMETHYLENE)-1-CHLORO-1-(PERFLUOROALKYL) METHYLAMINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-10-17 US disclosed
CN-1267667-A Process for producing 2-aryl-5-(perfluoroalkyl) pyrrole compound from N-[1-chlorine-1-(perfluoroalkyl) quadri group] imido aryl chlorine compound AMERICAN CYANAMID CO (US) 2000-09-27 CN disclosed
EP-1035113-A2 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds American Cyanamid Company (US) 2000-09-13 EP disclosed
US-6034273-A INSECTICIDES; MITICIDES AMERICAN CYANAMID COMPANY (US) 2000-03-07 US disclosed
CN-1238330-A Process for preparation of 2-aryl-5-(perfluoroalkyl) pyrrole compounds AMERICAN CYANAMID CO (US) 1999-12-15 CN disclosed
EP-0934929-A1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-(arylmethylene)-1-chloro-1-(perfluoroalkyl) methylamine compounds American Cyanamid Company (US) 1999-08-11 EP disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 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-20020049338-A1 Process for the preparation of 2-aryl-5- (perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds AFF1, AFF4, AFF2 KIF11 439/4885ALDH1A1 1639/4885MAPT 4244/4885

“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.