SCHEMBL21177193

SCHEMBL21177193

CCOC(=O)c1ccc(C(F)(F)F)c(CNC/C(C)=N/OC)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
PDK2 Q15119 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
TRPC1 P48995 1/20 0.32
TRPC3 Q13507 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
STIM2 Q9P246 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL22610171 1.00 KDM4E (0.34) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL21177174 0.82 CA1 (0.35) KDM4EMAPTNPSR1TP53TSHR
SCHEMBL21179420 0.80 HDAC3 (0.41) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL21177826 0.79 NPSR1 (0.34) KDM4ENPSR1TP53LMNA
SCHEMBL22610172 0.78 KDM4E (0.35) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL21177195 0.78 KDM4E (0.35) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL21177461 0.75 CYP4F2 (0.47) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL22918400 0.72 HDAC4 (0.47) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL21596124 0.71 HDAC4 (0.46) KDM4EHDAC4HDAC6HDAC3HDAC1
SCHEMBL22918402 0.70 HDAC3 (0.43) KDM4EHDAC4HDAC6HDAC3HDAC1

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 4 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
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 548/4885HDAC4 633/4885HDAC6 427/4885
US-20200345009-A1 Amidine Substituted Benzoyl Derivatives Useful As Herbicides GLRX3, DDT, BROX KDM4E 548/4885HDAC4 633/4885HDAC6 427/4885

“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.