SCHEMBL1180128

SCHEMBL1180128

N#Cc1c(-c2cc(Cl)cc(Cl)c2)[nH]c(C(F)(F)F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
GAA P10253 8/20 0.39
KDM4E B2RXH2 7/20 0.39
GLA P06280 7/20 0.39
HPGD P15428 7/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ADORA1 P30542 3/20 0.33
EPAS1 Q99814 2/20 0.32
VEGFA P15692 1/20 0.32
ADORA2A P29274 2/20 0.32
TP53 P04637 1/20 0.32
PSD A5PKW4 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL116957 0.87 ALDH1A1 (0.46) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL13858869 0.87 ALDH1A1 (0.46) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL9336031 0.83 MAPK14 (0.39) ALDH1A1GAAKDM4EGLAHPGD
Thiocyanic Acid SCHEMBL29118523 0.82 ALDH1A1 (0.42) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1179642 0.82 KDM4E (0.33) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL10591655 0.80 ALDH1A1 (0.43) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL27425531 0.79 GAA (0.45) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL10591516 0.79 KIF11 (0.45) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL1180043 0.78 KDM4E (0.36) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL9264640 0.78 KDM4E (0.34) ALDH1A1GAAKDM4EGLAHPGD

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 27 patents — showing the first 20. 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-20110144232-A1 Biocide composition comprising pyrithione and pyrrole derivatives ARCH CHEMICALS, INC. 2011-06-16 US disclosed
US-20110143153-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
EP-1998619-A2 BIOCIDE COMPOSITION COMPRISING PYRITHIONE AND PYRROLE DERIVATIVES Arch Chemicals, Inc. (US) 2008-12-10 EP 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
EP-0801896-B1 Use of arylpyrroles for the control of pyrothroid-resistant insect populations AMERICAN CYANAMID CO (US) 2000-08-30 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
US-5932520-A FOR MARINE SURFACES AMERICAN CYANAMID COMPANY (US) 1999-08-03 US disclosed
US-5817324-A Use of arylpyrroles for the control of resistant insect populations AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
US-5817834-A FROM (PERFLUOROALKYLMETHYL)ARYLIMIDOLYL CHLORIDE COMPOUNDS;INSECTICIDES, MITICIDES AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801896-A1 Use of arylpyrroles for the control of pyrothroid-resistant insect populations American Cyanamid Company (US) 1997-10-22 EP 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 (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-20110144232-A1 Biocide composition comprising pyrithione and pyrrole derivatives PYCR1, CAT, BBOX1 ALDH1A1 149/4885GAA 2508/4885KDM4E 3108/4885

“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.