SCHEMBL1180132

SCHEMBL1180132

N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 3/20 0.48
HTT P42858 3/20 0.48
GLA P06280 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PSD A5PKW4 1/20 0.36
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IDO1 P14902 1/20 0.36
MAPT P10636 3/20 0.34
GRM5 P41594 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL9224576 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9015062 0.88 KDM4E (0.48) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9567335 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9189605 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL13858869 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL116957 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL8976164 0.84 IDO1 (0.40) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9446485 0.82 GRM5 (0.47) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL27934886 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL9273773 0.81 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895839-B1 Arylpyrroles for the protection of wood, wood products and wood structures from insect attack BASF AG (DE) 2006-09-20 EP claimed
EP-0746979-B1 Use of pyrrole compounds as antifouling agents BASF AG (DE) 2004-07-21 EP claimed
EP-0895717-B1 Arylpyrroles for subterranean termite control BASF AG (DE) 2003-05-28 EP claimed
US-5932520-A FOR MARINE SURFACES AMERICAN CYANAMID COMPANY (US) 1999-08-03 US claimed
EP-0895717-A1 Arylpyrroles for subterranean termite control American Cyanamid Company (US) 1999-02-10 EP claimed
EP-0895839-A1 Arylpyrroles for the protection of wood, wood products and wood structures from insect attack American Cyanamid Company (US) 1999-02-10 EP 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
EP-0491136-B1 Process for the manufacture of pesticidal 1-(alkoxymethyl)pyrrole compounds AMERICAN CYANAMID CO (US) 1996-09-18 EP disclosed
US-5449789-A Debrominative chlorination of pyrroles AMERICAN CYANAMID COMPANY (US) 1995-09-12 US disclosed
US-5187184-A Mixtures of substituted arylpyrroles and arylpyrazoles AMERICAN CYANAMID COMPANY (US) 1993-02-16 US disclosed
US-5151536-A Insecticides, molluscicides, miticides or nematocides AMERICAN CYANAMID COMPANY (US) 1992-09-29 US disclosed
US-5128485-A SYNTHESIS OF 2-ARYL-5-(TRIFLUOROMETHYL)PYRROLES USEFUL AS PESTICIDAL AGENTS AND AS INTERMEDIATES FOR THE PREPARATION OF SAID AGENTS AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
EP-0492125-A1 Insecticidal and synergistic miticidal compositions AMERICAN CYANAMID COMPANY (US) 1992-07-01 EP disclosed
EP-0491136-A2 Process for the manufacture of pesticidal 1-(alkoxymethyl)pyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-24 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 149/4885KDM4E 3108/4885LMNA 4774/4885

“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.