SCHEMBL708344

SCHEMBL708344

O=C(NCCC#Cc1ccc2cc(O)ccc2c1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
TGM2 P21980 1/20 0.43
ATM Q13315 1/20 0.43
KAT2B Q92831 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CASP1 P29466 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10110703 0.89 L3MBTL1 (0.47) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL16572113 0.84 L3MBTL1 (0.51) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15839464 0.84 HTT (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10110733 0.84 L3MBTL1 (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15807562 0.84 CTSL (0.48) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL708461 0.82 L3MBTL1 (0.44) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL15802497 0.82 CTSL (0.46) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL708335 0.82 L3MBTL1 (0.44) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL708002 0.81 HCAR2 (0.43) MEN1KMT2ASLC6A5
SCHEMBL15807571 0.81 CTSS (0.46) LMNASMN1; SMN2HTTL3MBTL1MAPT

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 15 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-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US 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-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 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-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 LMNA 1285/4885SMN1; SMN2 3343/4885HTT 554/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B LMNA 956/4885SMN1; SMN2 2733/4885HTT 723/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B LMNA 956/4885SMN1; SMN2 2733/4885HTT 723/4885

“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.