SCHEMBL9484591

SCHEMBL9484591

O=C(C(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)NS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccccc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 19/20 0.87
ALDH1A1 P00352 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
LMNA P02545 1/20 0.72
MAPT P10636 1/20 0.72
HTT P42858 1/20 0.72
CAMK2D Q13557 1/20 0.72
P2RX4 Q99571 1/20 0.72
CAMK2A Q9UQM7 1/20 0.72

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
SCHEMBL9484593 1.00 P2RX7 (0.87) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15265405 0.90 P2RX7 (0.72) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL28912764 0.90 P2RX7 (0.72) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL29412081 0.90 P2RX7 (0.72) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483169 0.90 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483177 0.90 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484609 0.89 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483404 0.89 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484617 0.89 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483407 0.89 P2RX7 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329483-A1 Methods and Pharmaceutical Compositions for the Treatment of X-Linked Charcot-Marie-Tooth INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2015-11-19 US disclosed
WO-2014095757-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF X-LINKED CHARCOT-MARIE-TOOTH INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2014-06-26 WO disclosed
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US 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-20150329483-A1 Methods and Pharmaceutical Compositions for the Treatment of X-Linked Charcot-Marie-Tooth PMP22, CAMK2G, CAMK2B P2RX7 1693/4885ALDH1A1 4044/4885SMN1; SMN2 13/4885

“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.