SCHEMBL709448

SCHEMBL709448

CC(C)(C)[Si](C)(C)Oc1ccc(C#CCCNC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
GAA P10253 1/20 0.38
FOLH1 Q04609 3/20 0.37
TGM2 P21980 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL16572114 0.81 LMNA (0.47) HTTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL705283 0.79 HTT (0.49) HTTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL15802494 0.77 HTT (0.46) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL708461 0.77 L3MBTL1 (0.44) HTTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL15807587 0.75 HTT (0.46) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL15839479 0.74 CTSS (0.46) MAPTCTSLCTSBCTSS
SCHEMBL15804484 0.74 CTSS (0.46) MAPTCTSLCTSBCTSS
SCHEMBL19606644 0.73 CTSS (0.45) MAPTCTSLCTSBCTSS
SCHEMBL15792219 0.73 CTSS (0.45) MAPTCTSLCTSBCTSS
SCHEMBL15792222 0.73 CTSS (0.45) MAPTCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257296-B1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2014-05-07 EP disclosed
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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
EP-2257296-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2010-12-08 EP disclosed
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 WO disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 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 (3 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 HTT 554/4885LMNA 1285/4885SMN1; SMN2 3343/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885LMNA 956/4885SMN1; SMN2 2733/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885LMNA 956/4885SMN1; SMN2 2733/4885

“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.