SCHEMBL706630

SCHEMBL706630

CC(C)(C)[Si](C)(C)Oc1ccc2cc(CCCC(N)Cc3ccccc3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
TACR1 P25103 3/20 0.37
LTA4H P09960 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
SCHEMBL3412719 0.82 CA12 (0.40) SIGMAR1CA12CA1CA9
SCHEMBL708891 0.78 CA12 (0.47) SIGMAR1CA12CA1CA9
SCHEMBL4548366 0.74 CA12 (0.49) CA12CA1CA9
SCHEMBL706631 0.74 ALDH1A1 (0.48) CA12CA1CA9
SCHEMBL28846521 0.73 SIGMAR1 (0.58) SIGMAR1LTA4H
SCHEMBL8413352 0.73 SIGMAR1 (0.44) SIGMAR1CA12CA1CA9
SCHEMBL9322867 0.72 CA12 (0.44) SIGMAR1CA12CA1CA9
SCHEMBL10115813 0.72 HTT (0.46)
SCHEMBL9320158 0.71 CA12 (0.43) SIGMAR1CA12CA1CA9
SCHEMBL12017833 0.71 CA1 (0.59) CA12CA1CA9

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 SIGMAR1 412/4885CA12 1671/4885CA1 1098/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SIGMAR1 684/4885CA12 1711/4885CA1 1417/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SIGMAR1 684/4885CA12 1711/4885CA1 1417/4885

“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.