SCHEMBL707615

SCHEMBL707615

O=C(NCCCCc1ccc(OCC(O)CO)c2ccccc12)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
TGM2 P21980 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 4/20 0.42
ADRB1 P08588 3/20 0.42
FOLH1 Q04609 3/20 0.42
ANPEP P15144 1/20 0.41
BMP1 P13497 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NMBR P28336 1/20 0.40

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
SCHEMBL3802473 0.88 ADRB2 (0.54) HTTTGM2DPP8DPP7KEAP1
SCHEMBL3800914 0.88 ADRB2 (0.54) HTTTGM2DPP8DPP7KEAP1
SCHEMBL2329302 0.88 ADRB2 (0.54) HTTTGM2DPP8DPP7KEAP1
SCHEMBL10110708 0.83 SLC2A1 (0.52) HTTTGM2DPP8DPP7KEAP1
SCHEMBL2332859 0.81 MAPT (0.53) HTTTGM2DPP8DPP7KEAP1
SCHEMBL10115731 0.80 MAPT (0.52) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL707237 0.79 HTT (0.56) HTTTGM2DPP8DPP7KEAP1
SCHEMBL10110709 0.78 HTT (0.55) HTTTGM2DPP8DPP7KEAP1
SCHEMBL918030 0.77 MAPT (0.49) HTTTGM2DPP8DPP7KEAP1
SCHEMBL15663208 0.77 KDM4E (0.43) ADRB2KDM4EMEN1CYP1A2CYP2C19

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 554/4885TGM2 3693/4885DPP8 1856/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885DPP8 1491/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885DPP8 1491/4885

“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.