SCHEMBL6561382

SCHEMBL6561382

N#Cc1cc(C(F)(F)F)[nH]c1-c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
AR P10275 7/20 0.36
BCAT2 O15382 3/20 0.34
BCAT1 P54687 3/20 0.34
CYP11B2 P19099 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL3893630 0.86 AR (0.40) MAOAMAOBARBCAT2BCAT1
SCHEMBL3896879 0.85 KDM4E (0.35) MAOAMAOBARBCAT2BCAT1
SCHEMBL3893100 0.84 KDM4E (0.46) MAOAMAOBARKDM4EMEN1
Bromide SCHEMBL29618239 0.83 KDM4E (0.45) MAOAMAOBARKDM4EMEN1
SCHEMBL9193868 0.80 MAOA (0.45) MAOAMAOBARBCAT2BCAT1
SCHEMBL27633703 0.79 KDM4E (0.44) ARCYP11B2KDM4EALDH1A1GAA
SCHEMBL6561277 0.79 KIF11 (0.49) ARCYP11B2KDM4EALDH1A1
SCHEMBL3890191 0.77 PTGES (0.38) MAOAMAOBARCYP11B2
SCHEMBL10590631 0.77 AR (0.54) MAOAMAOBARBCAT2BCAT1
SCHEMBL9390186 0.77 AR (0.54) AR

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 5 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
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
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

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 MAOA 2993/4885MAOB 3730/4885AR 1457/4885

“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.