SCHEMBL6088948

SCHEMBL6088948

CCC(O)(CC)c1ccc2onc(N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.37
▸ EPHX2 P34913 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ F9 P00740 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESR1 P03372 6/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ AR P10275 2/20 0.33
▸ MLYCD O95822 1/20 0.32
▸ F10 P00742 5/20 0.32
▸ F2 P00734 2/20 0.32
▸ IDO1 P14902 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
SCHEMBL6090589 0.88 F9 (0.36) PIKFYVEEPHX2F9ESR1ESR2
SCHEMBL13893639 0.83 NPC1 (0.38) EPHX2AKT1F9MAPTESR1
SCHEMBL12025165 0.79 ALDH1A1 (0.43) EPHX2AKT1F9MAPTIDO1
SCHEMBL2634187 0.76 EPHX2 (0.58) EPHX2AKT1F10F2
SCHEMBL30410154 0.76 EPHX2 (0.58) EPHX2AKT1F10F2
SCHEMBL12044601 0.72 RAB9A (0.41) AKT1MAPT
SCHEMBL14039533 0.71 F9 (0.36) EPHX2F9ESR1ESR2IDO1
SCHEMBL29652381 0.70 MAPT (0.50) F9MAPT
SCHEMBL1759452 0.70 MAPT (0.50) F9MAPT
SCHEMBL6089740 0.70 ESR1 (0.51) MAPTESR1ESR2AR

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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 — — US disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 — — 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R PIKFYVE 2790/4885EPHX2 4326/4885AKT1 2440/4885

“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.

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