SCHEMBL708870

SCHEMBL708870

NCCCCc1ccc2cc(OCC(O)CO)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ AR P10275 1/20 0.40
▸ SCNN1A P37088 4/20 0.40
▸ PIK3CG P48736 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CASR P41180 1/20 0.37
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL2332175 0.87 AR (0.48) MAPK1TSHRARSCNN1AS1PR1
SCHEMBL2361313 0.87 AR (0.48) MAPK1TSHRARSCNN1AS1PR1
SCHEMBL2328950 0.87 AR (0.48) MAPK1TSHRARSCNN1AS1PR1
Hydrochloric Acid SCHEMBL16498773 0.86 AR (0.47) MAPK1TSHRKMT2AARSCNN1A
SCHEMBL2329453 0.85 TSHR (0.55) MAPK1TSHRSMN1; SMN2SCNN1APIK3CG
SCHEMBL12869174 0.82 AR (0.44) ARSCNN1AS1PR1
SCHEMBL21221616 0.78 TSHR (0.43) MAPK1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL13620747 0.76 TLR8 (0.50) MAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL1587139 0.75 AR (0.50) MAPK1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL1587135 0.75 AR (0.50) MAPK1TSHRKMT2AMEN1SMN1; SMN2

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 19 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-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
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
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-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 MAPK1 3797/4885TSHR 3361/4885KMT2A 1557/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B MAPK1 3502/4885TSHR 3620/4885KMT2A 1510/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B MAPK1 3502/4885TSHR 3620/4885KMT2A 1510/4885

“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.

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