SCHEMBL9986293

SCHEMBL9986293

CN1CCN(C(=O)Cc2csc(NC(=O)Nc3ccc(CC(=O)C4CCCC4)cc3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.50
▸ F10 P00742 4/20 0.50
▸ HSD11B1 P28845 2/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
Hydrochloric Acid SCHEMBL9987587 0.99 F2 (0.49) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL27412237 0.81 MAPT (0.52) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL30932945 0.79 HSD11B1 (0.47) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL1340728 0.78 F2 (0.47) F2F10HSD11B1HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL1340940 0.77 F2 (0.47) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL30932939 0.75 HSD11B1 (0.43) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL30932940 0.75 HSD11B1 (0.43) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL27412307 0.74 HSD11B1 (0.44) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL27412265 0.74 F2 (0.46) F2F10HSD11B1HSD17B1HSD17B2
SCHEMBL2650342 0.74 PTPN1 (0.44) ITGB1ITGA4MAPTTP53LMNA

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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 — — 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 F2 4792/4885F10 4540/4885HSD11B1 1762/4885

“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.

Send feedback