SCHEMBL20320562

SCHEMBL20320562

Cc1cc(C(F)F)c(Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
UHRF1 Q96T88 1/20 0.34
GRIN1 Q05586 12/20 0.34
GRIN2B Q13224 12/20 0.34
RXRA P19793 8/20 0.34
GRM2 Q14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
AAK1 Q2M2I8 2/20 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
SCHEMBL17979255 0.85 UHRF1 (0.35) KCNH2UHRF1GRIN1GRIN2BRXRA
SCHEMBL22299273 0.81 LMNA (0.39) UHRF1CYP1A2CYP2A6
SCHEMBL18018351 0.76 UHRF1 (0.48) UHRF1CYP1A2CYP2A6KDM4ETSHR
SCHEMBL22445234 0.75 UHRF1 (0.39) UHRF1CYP1A2CYP2A6KDM4ETSHR
SCHEMBL34472156 0.75 NNMT (0.44) KCNH2GRIN1GRIN2BRXRA
SCHEMBL22299472 0.75 CNR2 (0.32) UHRF1CYP1A2CYP2A6
SCHEMBL29911632 0.72 UHRF1 (0.40) UHRF1CYP1A2CYP2A6KDM4ETSHR
SCHEMBL3706312 0.72
SCHEMBL10144238 0.71
SCHEMBL20285928 0.71 LMNA (0.42) UHRF1CYP1A2CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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 (1 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS KCNH2 1508/4885UHRF1 3487/4885GRIN1 1129/4885

“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.