SCHEMBL21177461

SCHEMBL21177461

CCOC(=O)c1ccc(C(F)(F)F)c(CBr)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HDAC4 P56524 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PLK1 P53350 1/20 0.39
PDK2 Q15119 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL29151118 0.86 NOTUM (0.44) KDM4EPDK2MRGPRX4
SCHEMBL21179420 0.84 HDAC3 (0.41) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL22918400 0.83 HDAC4 (0.47) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL21596124 0.82 HDAC4 (0.46) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL21177402 0.81 KDM4E (0.46) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL21177459 0.79 KDM4E (0.37) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL22918402 0.78 HDAC3 (0.43) CYP4F2CYP4A11HDAC4HDAC6HDAC3
SCHEMBL22918686 0.77 CYP4F2 (0.48) CYP4F2CYP4A11TSHRCA12CA1
SCHEMBL31121872 0.76 CYP4F2 (0.47) CYP4F2CYP4A11KDM4ETSHRCA12
SCHEMBL21177157 0.76 CYP4F2 (0.47) CYP4F2CYP4A11KDM4ETSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11272709-B2 Amidine substituted benzoyl derivatives useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2022-03-15 US disclosed
WO-2021013969-A1 3-[(HYDRAZONO)METHYL]-N-(TETRAZOL-5-YL)-BENZAMIDE AND 3-[(HYDRAZONO)METHYL]-N-(1,3,4-OXADIAZOL-2-YL)-BENZAMIDE DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-01-28 WO disclosed
WO-2021013969-A1 3-[(HYDRAZONO)METHYL]-N-(TETRAZOL-5-YL)-BENZAMIDE AND 3-[(HYDRAZONO)METHYL]-N-(1,3,4-OXADIAZOL-2-YL)-BENZAMIDE DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-01-28 WO 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 CYP4F2 877/4885CYP4A11 1642/4885HDAC4 633/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX CYP4F2 877/4885CYP4A11 1642/4885HDAC4 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.