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SCHEMBL708472

SCHEMBL708472

CCC(NC(=N)N)Oc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 17/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ THPO P40225 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GMNN O75496 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL709779 0.87 SCNN1A (0.38) SCNN1A
SCHEMBL16808345 0.87 SCNN1A (0.45) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL708473 0.86 SCNN1A (0.51) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15452063 0.84 SCNN1A (0.51) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10116013 0.84 SCNN1A (0.48) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10115701 0.84 SCNN1A (0.59) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL709519 0.83 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15442690 0.83 SCNN1A (0.38) SCNN1AALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL709294 0.83 SCNN1A (0.48) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15834349 0.82 SCNN1A (0.46) SCNN1AALDH1A1KDM4EHPGDHSD17B10

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 6 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-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 SCNN1A 16/4885ALDH1A1 994/4885KDM4E 3151/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885ALDH1A1 1287/4885KDM4E 2068/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SCNN1A 11/4885ALDH1A1 1287/4885KDM4E 2068/4885

“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.