SCHEMBL21179417

SCHEMBL21179417

Nc1c(C(F)(F)F)ccc(C(=O)O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLCN2 P51788 1/20 0.44
NOTUM Q6P988 2/20 0.40
GRIK1 P39086 1/20 0.40
TSHR P16473 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CFTR P13569 1/20 0.38
CYP3A4 P08684 1/20 0.38
DAO P14920 1/20 0.38
ASPH Q12797 1/20 0.38
CES2 O00748 2/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL31121874 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL28512831 0.86 CLCN2 (0.48) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL19893742 0.80 CLCN2 (0.46) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL29276538 0.79 CLCN2 (0.44) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL20711420 0.79 TAS2R14 (0.48) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL1223395 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10NOTUM
SCHEMBL28527880 0.78 CFTR (0.39) NOTUMCTSSCTSKCFTRCES2
SCHEMBL20702493 0.77 CLCN2 (0.43) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL30307023 0.77 CLCN2 (0.43) KDM4EALDH1A1HPGDHSD17B10CLCN2
SCHEMBL21177402 0.77 KDM4E (0.46) KDM4EALDH1A1HSD17B10TSHRCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740470-B1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2022-05-18 EP disclosed
US-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2022-03-15 US disclosed
EP-3740470-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES Syngenta Crop Protection AG (CH) 2020-11-25 EP disclosed
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2020-11-05 US disclosed
CN-111615508-A Amidine substituted benzoyl derivatives useful as herbicides 先正达参股股份有限公司 2020-09-01 CN disclosed
WO-2019141740-A1 AMIDINE SUBSTITUTED BENZOYL DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-07-25 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-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides GLRX3, DDT, BROX KDM4E 548/4885ALDH1A1 1054/4885HPGD 3033/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX KDM4E 548/4885ALDH1A1 1054/4885HPGD 3033/4885

“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.