SCHEMBL16647331

SCHEMBL16647331

COCc1cnc(C)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CACNA1H O95180 2/20 0.40
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.34
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
OXTR P30559 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL16637276 0.83 TRPA1 (0.39) LMNACACNA1HTRPA1CYP1A2IDO1
SCHEMBL16647335 0.78 KDM4E (0.39) LMNAKDM4EALDH1A1HPGD
SCHEMBL22447153 0.78 CACNA1H (0.35) CACNA1HKDM4ECYP1A2HPGDSLC6A4
SCHEMBL28115897 0.78 HPGD (0.37) LMNACACNA1HKDM4EIDO1HPGD
SCHEMBL14685854 0.77 LMNA (0.47) LMNAKDM4ECYP1A2ALDH1A1GAA
SCHEMBL25652309 0.74 LMNA (0.44) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL2610401 0.74 LMNA (0.41) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL21031169 0.74 TRPA1 (0.36) LMNACACNA1HTRPA1CYP1A2OXTR
SCHEMBL25909026 0.74 RXRA (0.40) KDM4ECYP1A2ALDH1A1GAAHPGD
SCHEMBL24363077 0.74 GRM5 (0.41) TRPA1KDM4ECYP1A2ALDH1A1HPGD

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 3 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
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 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 LMNA 3862/4885CACNA1H 1702/4885TRPA1 2370/4885

“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.