SCHEMBL10115774

SCHEMBL10115774

CC(C)(C)OC(=O)NCCCOc1ccc2cc(C#CCCNC(=O)OCc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 2/20 0.51
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SUCNR1 Q9BXA5 2/20 0.42
SYK P43405 1/20 0.42
HTT P42858 1/20 0.42
PDK2 Q15119 1/20 0.42
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10110733 0.89 L3MBTL1 (0.56) L3MBTL1MAPTITGB3ITGA2BHTT
SCHEMBL16572113 0.85 L3MBTL1 (0.51) L3MBTL1MAPTITGB3ITGA2BHTT
SCHEMBL10115818 0.83 MAPT (0.55) L3MBTL1MAPTCA12CA1CA2
SCHEMBL708461 0.81 L3MBTL1 (0.44) L3MBTL1MAPTCA12CA1CA9
SCHEMBL15807826 0.80 CTSS (0.53) MAPTITGB3ITGA2B
SCHEMBL10110703 0.80 L3MBTL1 (0.47) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL708344 0.80 LMNA (0.49) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL19606590 0.80 CTSS (0.52) MAPTITGB3ITGA2B
SCHEMBL708335 0.79 L3MBTL1 (0.44) L3MBTL1MAPTITGB3ITGA2BHTT
SCHEMBL15092810 0.79 MAPT (0.64) L3MBTL1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 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 (2 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-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B L3MBTL1 4580/4885MAPT 1110/4885CA12 1711/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B L3MBTL1 4580/4885MAPT 1110/4885CA12 1711/4885

“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.