SCHEMBL6559629

SCHEMBL6559629

O=C(NC(Cl)C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
MMP2 P08253 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
OGG1 O15527 1/20 0.47
TRPA1 O75762 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
MLYCD O95822 1/20 0.44
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL6560426 0.84 CES2 (0.52) LMNAMLYCDCES2CES1
SCHEMBL1164028 0.84 TRPA1 (0.55) CA12MMP2CA14LMNAALDH1A1
SCHEMBL4679737 0.84 HTT (0.53) LMNAALDH1A1TRPA1SMN1; SMN2HTT
SCHEMBL4682046 0.83 SMN1; SMN2 (0.64) LMNAALDH1A1TRPA1SMN1; SMN2MLYCD
SCHEMBL1923460 0.81 CA12 (0.54) CA12MMP2CA14LMNAALDH1A1
SCHEMBL1242290 0.74 HPGD (0.70) CA12MMP2CA14LMNAALDH1A1
SCHEMBL6559614 0.74 GRN (0.49) KMT2AMEN1GAATDP1CYP3A4
SCHEMBL1923167 0.73 TRPA1 (0.51) CA12MMP2CA14LMNAALDH1A1
SCHEMBL29135823 0.73 CA12 (0.58) CA12MMP2CA14LMNAALDH1A1
SCHEMBL6562109 0.72 GRN (0.35) ALDH1A1SMN1; SMN2MLYCDKMT2AMEN1

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-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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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

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 CA12 4691/4885MMP2 3697/4885CA14 3475/4885

“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.