SCHEMBL21177402

SCHEMBL21177402

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL22918400 0.85 HDAC4 (0.47) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL28527880 0.84 CFTR (0.39) NPC1MAPTRAB9ACTSSCTSK
SCHEMBL21596124 0.84 HDAC4 (0.46) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL23925275 0.81 KDM4E (0.45) KDM4EALDH1A1HSD17B10TSHRNPC1
SCHEMBL30279580 0.81 KDM4E (0.45) KDM4EALDH1A1HSD17B10TSHRNPC1
SCHEMBL21177461 0.81 CYP4F2 (0.47) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL22918402 0.81 HDAC3 (0.43) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL11696222 0.79 HSD17B10 (0.55) KDM4EALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL23361191 0.79 CFTR (0.35) HDAC3HDAC4HDAC1HDAC6NPC1
SCHEMBL30092819 0.79 CFTR (0.35) HDAC3HDAC4HDAC1HDAC6NPC1

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 8 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-2020079078-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-04-23 WO disclosed
WO-2020079078-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-04-23 WO 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 1054/4885HSD17B10 1906/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX KDM4E 548/4885ALDH1A1 1054/4885HSD17B10 1906/4885

“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.