SCHEMBL12188601

SCHEMBL12188601

O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2cccc(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SPR P35270 1/20 0.45
▸ MGLL Q99685 2/20 0.44
▸ GRIN2B Q13224 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41

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
SCHEMBL12188766 0.86 SPR (0.44) GAAALDH1A1SPRMGLLKMT2A
SCHEMBL12188743 0.85 SCN9A (0.49) GAA
SCHEMBL1807553 0.83 SCN9A (0.47) GAAALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL1807793 0.83 SMN1; SMN2 (0.54) GAAALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL1809328 0.78 SMN1; SMN2 (0.50) GAAALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL27324525 0.75 TSHR (0.77) GAAALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL3128835 0.73 CACNA1B (0.61) TSHR
SCHEMBL1810249 0.72 SCN9A (0.51) —
SCHEMBL1811165 0.72 CCKAR (0.40) SPR
SCHEMBL1806244 0.72 SCN9A (0.46) SPRMGLL

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 GAA 1906/4885ALDH1A1 787/4885TSHR 911/4885

“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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