SCHEMBL2456124

SCHEMBL2456124

CN(C(Cc1ccc(O)cc1)CN1CCCN(C(=O)OCc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.60
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ CAMK2A Q9UQM7 1/20 0.51

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
SCHEMBL2458613 0.97 P2RX7 (0.63) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483795 0.93 P2RX7 (0.60) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2456611 0.91 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483761 0.89 P2RX7 (0.76) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9490535 0.89 P2RX7 (0.51) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484514 0.86 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2456866 0.86 P2RX7 (0.53) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484296 0.86 P2RX7 (0.75) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483261 0.85 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2456056 0.85 P2RX7 (0.51) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244895-A 5-Isoquinolinesulfonamides with N substituents containing benzyl and heterocyclic groups Hidaka, Hiroyoshi (JP) 1993-09-14 — — US claimed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — US disclosed
EP-0513691-B1 Anti-ulcer agent HIDAKA HIROYOSHI (JP) 1996-07-31 — — EP disclosed
US-5244895-A 5-Isoquinolinesulfonamides with N substituents containing benzyl and heterocyclic groups Hidaka, Hiroyoshi (JP) 1993-09-14 — — US disclosed
EP-0513691-A1 Anti-ulcer agent Hidaka, Hiroyoshi (JP) 1992-11-19 — — EP disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF P2RX7 2569/4885ALDH1A1 3179/4885SMN1; SMN2 6/4885

“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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