SCHEMBL2480602

SCHEMBL2480602

N#Cc1cc(C(F)(F)F)n(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.43
TP53 P04637 2/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CNR1 P21554 2/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PGR P06401 1/20 0.35
THRB P10828 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL7543853 0.82 KDM4E (0.44) ARTP53KDM4EALDH1A1GAA
SCHEMBL7818938 0.79 KDM4E (0.47) ARTP53KDM4EALDH1A1GAA
SCHEMBL9057667 0.79 CNR1 (0.42) ARKDM4EALDH1A1GAAHPGD
SCHEMBL7816493 0.76 CNR1 (0.56) ARKDM4EALDH1A1HPGDCNR1
SCHEMBL8532395 0.75 KDM4E (0.38) ARTP53KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL28752946 0.74 KDM4E (0.37) ARTP53KDM4EALDH1A1GAA
SCHEMBL9423766 0.72 S1PR3 (0.33) ARKDM4EALDH1A1GAAHPGD
SCHEMBL9191382 0.69 AR (0.38) ARKDM4EALDH1A1GAAHPGD
SCHEMBL27283773 0.68 KDM4E (0.41) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL3893100 0.65 KDM4E (0.46) ARKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1915026-B Synergistic antifouling compositions comprising 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile JANSSEN PHARMACEUTICA NV 2011-02-23 CN claimed
CN-112430205-B Preparation method of arylpyrrole compound 湖南海利常德农药化工有限公司 2022-06-21 CN disclosed
CN-112430205-A Preparation method of arylpyrrole compound 湖南海利常德农药化工有限公司 2021-03-02 CN disclosed
CN-109777178-A Antifouling composition 佐敦有限公司 2019-05-21 CN disclosed
CN-109777298-A Antifouling paint compositions 佐敦有限公司 2019-05-21 CN disclosed
CN-102245026-B Antifouling combination comprising 4 bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile JANSSEN PHARMACEUTICA NV 2014-08-06 CN disclosed
US-8512763-B2 Combinations of 4 bromo 2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile and metal compounds JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8399506-B2 Combinations of 4 bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile and oxidizing agents JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
US-20120234203-A1 COMBINATIONS OF 4 BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND METAL COMPOUNDS KEMPEN TONY MATHILDE JOZEF (BE) 2012-09-20 US disclosed
CN-102245026-A Antifouling combination comprising 4 bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile JANSSEN PHARMACEUTICA NV 2011-11-16 CN disclosed
EP-2375902-A1 ANTIFOULING COMBINATION COMPRISING 4 BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE Janssen Pharmaceutica NV (BE) 2011-10-19 EP disclosed
US-20100178357-A1 COMBINATIONS OF 4 BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND OXIDIZING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-15 US disclosed
WO-2010066825-A1 ANTIFOULING COMBINATION COMPRISING 4 BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO 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-20100178357-A1 COMBINATIONS OF 4 BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND OXIDIZING AGENTS KCNN2, KCNN4, KCNN1 AR 3964/4885TP53 3169/4885KDM4E 899/4885

“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.