SCHEMBL23977400

SCHEMBL23977400

C#Cc1cccc(Oc2ncnc3[nH]cnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 9/20 0.47
EGFR P00533 3/20 0.38
TRPA1 O75762 2/20 0.38
TNNI3K Q59H18 1/20 0.37
MAP4K4 O95819 1/20 0.36
DRD1 P21728 1/20 0.34
EIF2AK2 P19525 1/20 0.34
GSK3B P49841 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
FLT3 P36888 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
SCHEMBL30225386 1.00 HAO1 (0.47) HAO1EGFRTRPA1TNNI3KMAP4K4
SCHEMBL23977545 0.84 HAO1 (0.45) HAO1EGFRMAP4K4
SCHEMBL2623130 0.79 TRPA1 (0.58) EGFRTRPA1TNNI3KMAP4K4DRD1
SCHEMBL7542136 0.73 AURKA (0.55) EGFRTNNI3KEIF2AK2AURKARPS6KB1
SCHEMBL23069173 0.71 TRPA1 (0.41) TRPA1DRD1
SCHEMBL6659233 0.71 TRPA1 (0.60) TRPA1DRD1FLT3
SCHEMBL7830504 0.70 JAK2 (0.42) TRPA1DRD1
SCHEMBL3838122 0.70 HAO1 (0.50) HAO1
SCHEMBL30148747 0.70 HAO1 (0.50) HAO1
SCHEMBL10970729 0.68 HAO1 (0.49) HAO1

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 HAO1 914/4885EGFR 1310/4885TRPA1 4096/4885

“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.