SCHEMBL23836741

SCHEMBL23836741

CC1(C)NC(=O)c2ccccc2C1(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
S100A4 P26447 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ITGA4 P13612 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 2/20 0.37
PDK4 Q16654 2/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37

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
SCHEMBL18113468 0.79 KDM4E (0.40) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL30603804 0.79 KDM4E (0.40) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL18510249 0.79 ALDH1A1 (0.40) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL18113439 0.78 ALDH1A1 (0.39) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL30603806 0.78 ALDH1A1 (0.39) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL2144205 0.78 GSK3B (0.46) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL10602199 0.75 GSK3B (0.48) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL22782724 0.75 AKR1B1 (0.45) CA1CA2CA7CA9
SCHEMBL16098960 0.74 SMN1; SMN2 (0.44) GSK3BS100A4ALDH1A1KDM4EHSD17B10
SCHEMBL22782720 0.73 AKR1B1 (0.38) GSK3BALDH1A1KDM4EHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124508-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2021-09-21 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 (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-11124508-B2 Fungicidal compositions CYP51A1, CYP4X1, CYP1B1 GSK3B 1442/4885S100A4 4427/4885ALDH1A1 477/4885

“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.