SCHEMBL3890191

SCHEMBL3890191

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
AR P10275 9/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
RAD51 Q06609 1/20 0.35
ERBB2 P04626 1/20 0.35
KIF11 P52732 1/20 0.34
PGR P06401 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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 0.85 KDM4E (0.44) CYP11B1CYP11B2ARERBB2KIF11
SCHEMBL6561277 0.85 KIF11 (0.49) CYP11B1CYP11B2ARKIF11
SCHEMBL9390186 0.84 AR (0.54) ARKIF11PGR
SCHEMBL10590631 0.84 AR (0.54) CYP11B1CYP11B2ARMAOAMAOB
SCHEMBL3893100 0.84 KDM4E (0.46) ARMAOAMAOBERBB2
SCHEMBL9193868 0.83 MAOA (0.45) ARMAOAMAOBPGR
Bromide SCHEMBL29618239 0.83 KDM4E (0.45) ARMAOAMAOBERBB2
SCHEMBL3893630 0.80 AR (0.40) CYP11B2ARMAOAMAOB
SCHEMBL3896879 0.79 KDM4E (0.35) CYP11B1CYP11B2ARMAOAMAOB
SCHEMBL7765241 0.78 VCAM1 (0.43) RAD51KIF11

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
EP-0934930-B1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-(perfluoroalkylmethyl)arylimidoyl chloride compounds BASF SE (DE) 2009-01-28 EP disclosed
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
US-6011161-A Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-(perfluoro-alkylmethyl)arylimidoyl chloride compounds AMERICAN CYANAMID COMPANY (US) 2000-01-04 US disclosed
US-5965773-A A CHEMICAL INTERMEDIATE FOR FORMING A PESTICIDE TO CONTROL INSECT AND ACARID PESTS AMERICAN CYANAMID COMPANY (US) 1999-10-12 US disclosed
CN-1230539-A Process for preparation of 2-aryl-5-(perfluoroalkyl) pyrrole compounds from N-(perfluoroalkyl-methyl) arylimidoyl chloride compounds AMERICAN CYANAMID CO (US) 1999-10-06 CN disclosed
EP-0934930-A1 Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-(perfluoroalkylmethyl)arylimidoyl chloride compounds American Cyanamid Company (US) 1999-08-11 EP disclosed
US-5817834-A FROM (PERFLUOROALKYLMETHYL)ARYLIMIDOLYL CHLORIDE COMPOUNDS;INSECTICIDES, MITICIDES AMERICAN CYANAMID COMPANY (US) 1998-10-06 US 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 PTGES 4065/4885CYP11B1 1300/4885CYP11B2 1683/4885

“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.