SCHEMBL12188766

SCHEMBL12188766

O=C(c1ccc2cccc(O)c2n1)N1CCC(S(=O)(=O)c2cccc(O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MGLL Q99685 8/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ KDM4A O75164 2/20 0.35

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
SCHEMBL12188601 0.86 GAA (0.49) SPRKMT2AMGLLALDH1A1GAA
SCHEMBL1811165 0.85 CCKAR (0.40) SPRPIM1
SCHEMBL1806244 0.85 SCN9A (0.46) SPRPIM1MGLL
SCHEMBL1810294 0.81 SCN9A (0.45) SPRPIM1KDM4EKMT2AMGLL
SCHEMBL12188743 0.79 SCN9A (0.49) GAA
SCHEMBL3025410 0.75 CACNA1B (0.60) —
SCHEMBL12100617 0.73 HSD11B1 (0.41) PIM1KDM4EKMT2AMGLL
SCHEMBL1810159 0.72 SCD5 (0.54) PIM1KDM4EKMT2AALDH1A1GAA
SCHEMBL12188558 0.71 PIM1 (0.47) PIM1KDM4EKMT2A
SCHEMBL19692848 0.71 AKR1C3 (0.44) SPRALDH1A1

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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SPR 1986/4885PIM1 4238/4885KDM4E 1141/4885

“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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