SCHEMBL3544271

SCHEMBL3544271

CC(C)/C=C(/c1ccccc1N)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ CFTR P13569 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ FADS1 O60427 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 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
SCHEMBL3544272 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10CFTRPTGS1
SCHEMBL7787413 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CFTRMAPT
SCHEMBL8413968 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CFTRMAPT
SCHEMBL20880393 0.74 PTGS1 (0.40) ALDH1A1KDM4EHSD17B10CFTRPTGS1
SCHEMBL3550755 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MAPTP2RX1
SCHEMBL3037744 0.66 MAPT (0.50) ALDH1A1KDM4EHSD17B10CFTRPTGS1
SCHEMBL30371054 0.66 MAPT (0.50) ALDH1A1KDM4EHSD17B10CFTRPTGS1
SCHEMBL14090840 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CFTRPTGS1
SCHEMBL14090843 0.63 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10CFTRMAPT
SCHEMBL19187531 0.63 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CFTRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 — — US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 — — US claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 — — EP claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 — — WO claimed
US-7652059-B2 1-methyl-4-trifluoromethyl-1H-pyrrole-3-carboxylic acid [2-(1,3-dimethylbutyl)phenyl]amide; protecting plants against infestation by phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. (US) 2010-01-26 — — US disclosed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 — — EP disclosed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 — — US disclosed
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 — — US disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 — — US disclosed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 — — EP disclosed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 — — 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 (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-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 ALDH1A1 3130/4885KDM4E 787/4885HSD17B10 2358/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 ALDH1A1 3612/4885KDM4E 1354/4885HSD17B10 2750/4885

“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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