SCHEMBL1179642

SCHEMBL1179642

N#Cc1c(-c2cc(Cl)cc(Cl)c2Cl)[nH]c(C(F)(F)F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BIRC5 O15392 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ARF6 P62330 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
SCHEMBL1180128 0.82 ALDH1A1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1180449 0.80 KDM4E (0.34) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL116957 0.75 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL13858869 0.75 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9336031 0.75 MAPK14 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27425532 0.71 CUL4A (0.37) KDM4EALDH1A1GLAGAAHPGD
Thiocyanic Acid SCHEMBL29118523 0.71 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8121255 0.70
SCHEMBL29118524 0.70 KDM4E (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL10591655 0.69 ALDH1A1 (0.43) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746979-B1 Use of pyrrole compounds as antifouling agents BASF AG (DE) 2004-07-21 EP claimed
US-5932520-A FOR MARINE SURFACES AMERICAN CYANAMID COMPANY (US) 1999-08-03 US claimed
EP-0746979-A1 Use of pyrrole compounds as antifouling agents American Cyanamid Company (US) 1996-12-11 EP claimed
EP-3231283-A1 BIOCIDE COMPOSITION COMPRISING ZINC PYRITHIONE AND A PYRROLE DERIVATIVE Arch Chemicals, Inc. (US) 2017-10-18 EP disclosed
US-8481523-B2 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. (US) 2013-07-09 US disclosed
US-8372829-B2 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. (US) 2013-02-12 US disclosed
US-20110143153-A1 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. 2011-06-16 US disclosed
US-20110144232-A1 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. 2011-06-16 US disclosed
US-20110104375-A1 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. 2011-05-05 US disclosed
US-7893047-B2 comprising zinc pyrithione, and 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, present in a weight ratio of 3:2 to 2:3, and wherein biocidal composition is copper free or has low copper content ARCH CHEMICALS, INC. (US) 2011-02-22 US disclosed
US-20070207178-A1 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. 2007-09-06 US disclosed
EP-0746979-B1 Use of pyrrole compounds as antifouling agents BASF AG (DE) 2004-07-21 EP disclosed
US-5932520-A FOR MARINE SURFACES AMERICAN CYANAMID COMPANY (US) 1999-08-03 US disclosed
EP-0746979-A1 Use of pyrrole compounds as antifouling agents American Cyanamid Company (US) 1996-12-11 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 (2 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-20070207178-A1 Biocide composition comprising pyrithione and pyrrole derivatives PYCR1, CAT, BBOX1 KDM4E 3108/4885ALDH1A1 149/4885GLA 3145/4885
US-20110144232-A1 Biocide composition comprising pyrithione and pyrrole derivatives PYCR1, CAT, BBOX1 KDM4E 3108/4885ALDH1A1 149/4885GLA 3145/4885

“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.