SCHEMBL21177459

SCHEMBL21177459

CCOC(=O)c1ccc(C(F)(F)F)c(CN(C)C(C)=S)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PDK2 Q15119 1/20 0.34
MAPT P10636 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21177195 0.85 KDM4E (0.35) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL22610172 0.85 KDM4E (0.35) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL21179378 0.80 CA1 (0.37) KDM4ECYP4F2CYP4A11TSHRCA12
SCHEMBL21177461 0.79 CYP4F2 (0.47) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL21179420 0.77 HDAC3 (0.41) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL22918400 0.76 HDAC4 (0.47) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL21596124 0.75 HDAC4 (0.46) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL21177402 0.74 KDM4E (0.46) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL21596132 0.72 HDAC4 (0.39) KDM4EHDAC3HDAC4HDAC1HDAC6
SCHEMBL22918402 0.72 HDAC3 (0.43) KDM4EHDAC3HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111615508-B Amidine-substituted benzoyl derivatives useful as herbicides 先正达参股股份有限公司 2024-07-30 CN 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
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 548/4885HDAC3 222/4885HDAC4 633/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX KDM4E 548/4885HDAC3 222/4885HDAC4 633/4885

“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.