SCHEMBL22488090

SCHEMBL22488090

COC(=O)COc1ncccc1Oc1cc(NC(=S)N2CCCCN2)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35
GPR6 P46095 3/20 0.34
P2RY1 P47900 1/20 0.34
MAPK8 P45983 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
KMT2A Q03164 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 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
SCHEMBL21001536 0.93 PPOX (0.36) ALDH1A1HPGDMAPK1HTR1ADRD2
SCHEMBL3955026 0.81 ATM (0.42) ALDH1A1HTR1ADRD2ADRA1AP2RY1
SCHEMBL21035048 0.77 MAPK8 (0.40) ALDH1A1HTR1ADRD2ADRA1AP2RY1
SCHEMBL3246536 0.76 P2RY1 (0.41) HTR1ADRD2ADRA1AP2RY1MAPK8
SCHEMBL22488063 0.76 MAPK8 (0.43) ALDH1A1HTR1ADRD2ADRA1AP2RY1
SCHEMBL3251673 0.76 P2RY1 (0.39) P2RY1MAPK8KDRROCK2
SCHEMBL21034418 0.75 MAPK8 (0.44) HTR1ADRD2ADRA1AP2RY1MAPK8
SCHEMBL3246532 0.75 P2RY1 (0.40) HTR1ADRD2ADRA1AP2RY1MAPK8
SCHEMBL3250748 0.74 MAPK8 (0.43) HTR1ADRD2ADRA1AP2RY1MAPK8
SCHEMBL9824163 0.73 KMT2A (0.35) ALDH1A1HPGDKMT2ANPSR1

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-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
US-20200305429-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2020-10-01 US 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-20200305429-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 ALDH1A1 35/4885HPGD 1220/4885MAPK1 1740/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 ALDH1A1 35/4885HPGD 1220/4885MAPK1 1740/4885

“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.