SCHEMBL4298830

SCHEMBL4298830

CC(C)c1cc[n+](CB(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ ORAI1 Q96D31 1/20 0.31
▸ ORAI2 Q96SN7 1/20 0.31
▸ ORAI3 Q9BRQ5 1/20 0.31
▸ TRPV6 Q9H1D0 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CHKA P35790 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8427394 0.76 SLC22A2 (0.43) TAAR1RAB9ANPC1ALDH1A1LMNA
SCHEMBL5331811 0.73 CHKA (0.56) RAB9AALDH1A1LMNACHKAHTT
Iodide SCHEMBL7437383 0.72 CHKA (0.55) RAB9AALDH1A1LMNACHKAHTT
Bromide SCHEMBL15140537 0.72 CHKA (0.58) RAB9AALDH1A1LMNACHKAHTT
Hydrochloric Acid SCHEMBL7441129 0.72 ALDH1A1 (0.56) RAB9AALDH1A1LMNACHKAHTT
SCHEMBL5328940 0.69 RAB9A (0.47) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL5823234 0.69 IDO1 (0.35) RAB9ANPC1LMNAHTTSMN1; SMN2
SCHEMBL8427192 0.68 CHKA (0.44) RAB9AALDH1A1LMNACHKAHTT
SCHEMBL8429196 0.68 PABPC1 (0.50) RAB9AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13527278 0.67 MEN1 (0.50) RAB9ANPC1LMNACHKAHTT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009533384-A — — 2009-09-17 — — JP claimed
US-20090093443-A1 COMBINATIONS OF 4- BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JASSEN PHARMACEUTICA N.V. (BE) 2009-04-09 — — US claimed
EP-2009991-A1 COMBINATIONS OF 4-BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP claimed
WO-2007116051-A1 COMBINATIONS OF 4-BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 — — WO claimed
WO-2006087356-A2 SYNERGISTIC ANTIFOULING COMPOSITIONS COMPRISING (4-ISOPROPYLPYRIDINIO)METHYLDIPHENYLBORON JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-24 — — WO claimed
US-5958900-A Use of organoboron compounds as antifouling agents AMERICAN CYANAMID COMPANY (US) 1999-09-28 — — US claimed
WO-1997042823-A1 USE OF ORGANOBORON COMPOUNDS AS ANTIFOULING AGENTS AMERICAN CYANAMID COMPANY (US) 1997-11-20 — — WO claimed
US-5354740-A For phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US claimed
CN-101420851-B Combination of 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile and biocidal compound JANSSEN PHARMACEUTICA NV 2013-08-07 — — CN disclosed
CN-101420851-A Combination of 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile and biocidal compound JANSSEN PHARMACEUTICA NV (BE) 2009-04-29 — — CN disclosed
US-20090093443-A1 COMBINATIONS OF 4- BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JASSEN PHARMACEUTICA N.V. (BE) 2009-04-09 — — US disclosed
US-20090093443-A1 COMBINATIONS OF 4- BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JASSEN PHARMACEUTICA N.V. (BE) 2009-04-09 — — US disclosed
EP-2009991-A1 COMBINATIONS OF 4-BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP disclosed
EP-2009991-A1 COMBINATIONS OF 4-BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP disclosed
JP-2004244395-A (4-ISOPROPYLPYRIDINIO)METHYLDIPHENYLBORON-CONTAINING COMPOSITION HAVING IMPROVED STABILITY K I CHEMICAL INDUSTRY CO LTD 2004-09-02 — — JP disclosed
US-5958900-A Use of organoboron compounds as antifouling agents AMERICAN CYANAMID COMPANY (US) 1999-09-28 — — US disclosed
EP-0624315-B1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID CO (US) 1998-07-01 — — EP disclosed
WO-1997042823-A1 USE OF ORGANOBORON COMPOUNDS AS ANTIFOULING AGENTS AMERICAN CYANAMID COMPANY (US) 1997-11-20 — — WO disclosed
EP-0624315-A1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-11-17 — — EP disclosed
US-5354740-A For phytopathogenic fungi AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — 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-20090093443-A1 COMBINATIONS OF 4- BROMO-2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE AND BIOCIDAL COMPOUNDS TET3, TPM4, TET1 CNR2 863/4885TAAR1 3473/4885ORAI1 1740/4885

“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.

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