SCHEMBL707237

SCHEMBL707237

O=C(NCCCCc1ccc(O)c2ccccc12)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TGM2 P21980 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
FOLH1 Q04609 3/20 0.47
BMP1 P13497 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL10110709 0.87 HTT (0.55) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15834318 0.84 HTT (0.50) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15802500 0.82 DPP8 (0.55) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15804482 0.82 DPP8 (0.53) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.81 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10110708 0.81 SLC2A1 (0.52) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6746741 0.80 LMNA (0.61) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL17197422 0.80 HTT (0.48) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15834298 0.80 SIRT2 (0.55) HTTTGM2DPP8DPP7FOLH1
SCHEMBL9874334 0.80 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1

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 16 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
CN-101951913-A Poly aromatic sodium channel blockers PARION SCIENCES INC 2011-01-19 CN 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 554/4885TGM2 3693/4885LMNA 1285/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885LMNA 956/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885LMNA 956/4885

“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.