SCHEMBL10115701

SCHEMBL10115701

N=C(NCCCCc1ccc(OCC(O)CO)c2ccccc12)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 19/20 0.59
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FTO Q9C0B1 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL10115642 0.93 SCNN1A (0.51) SCNN1AKDM4ECYP1A2MEN1CYP2C19
SCHEMBL15452063 0.93 SCNN1A (0.51) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL13620861 0.91 SCNN1A (0.48) SCNN1AKDM4ECYP1A2MEN1CYP2C19
SCHEMBL9913781 0.90 SCNN1A (0.71) SCNN1A
SCHEMBL709519 0.87 SCNN1A (0.49) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL708473 0.87 SCNN1A (0.51) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL10116013 0.86 SCNN1A (0.48) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL709294 0.86 SCNN1A (0.48) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL16808345 0.86 SCNN1A (0.45) SCNN1AKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL707207 0.84 SCNN1A (0.46) SCNN1AKDM4ECYP1A2ALDH1A1CYP2D6

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
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-8288391-B2 Epithelial Sodium Channel and Acid Sensitive Ion Channel modulators; blocking or enhancing salt and sour tastes; additives in chocolate, ice cream, beverages, candies, or pet foods; side effect reduction PARION SCIENCES, INC. (US) 2012-10-16 US disclosed
US-8288391-B2 Epithelial Sodium Channel and Acid Sensitive Ion Channel modulators; blocking or enhancing salt and sour tastes; additives in chocolate, ice cream, beverages, candies, or pet foods; side effect reduction PARION SCIENCES, INC. (US) 2012-10-16 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
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
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS PARION SCIENCES, INC. (US) 2008-11-27 US disclosed
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS PARION SCIENCES, INC. (US) 2008-11-27 US disclosed
WO-2008124491-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE TASTE MODULATORS PARION SCIENCES, INC. (US) 2008-10-16 WO disclosed
WO-2008124496-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH, AND CENTRAL NERVOUS SYSTEM DISORDERS PARION SCIENCES, INC. (US) 2008-10-16 WO disclosed
US-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS PARION SCIENCES, INC. (US) 2008-10-09 US disclosed
US-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS PARION SCIENCES, INC. (US) 2008-10-09 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 (5 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-20080249109-A1 PYRAZINOYLGUANIDINE COMPOUNDS FOR USE AS TASTE MODULATORS TAS2R5, TAS2R9, TAS2R19 SCNN1A 65/4885KDM4E 2672/4885CYP1A2 3481/4885
US-20080293740-A1 METHOD OF TREATING ACID-SENSING ION CHANNEL MEDIATED PAIN, COUGH SUPPRESSION, AND CENTRAL NERVOUS SYSTEM DISORDERS ASIC1, ASIC3, TRPV1 SCNN1A 75/4885KDM4E 4543/4885CYP1A2 2546/4885
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 SCNN1A 16/4885KDM4E 3151/4885CYP1A2 416/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KDM4E 2068/4885CYP1A2 745/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885KDM4E 2068/4885CYP1A2 745/4885

“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.