SCHEMBL10110751

SCHEMBL10110751

O=C(NCCCCc1ccc2cc(O)ccc2c1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TGM2 P21980 2/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
TRPV1 Q8NER1 1/20 0.50
CASP1 P29466 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FOLH1 Q04609 1/20 0.47

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
SCHEMBL10110752 0.88 HTT (0.54) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL917677 0.87 HTT (0.65) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10110750 0.84 L3MBTL1 (0.60) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10110748 0.83 L3MBTL1 (0.54) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15802599 0.83 DPP8 (0.52) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7276818 0.83 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15834389 0.82 HTT (0.48) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15834361 0.82 SIRT2 (0.55) HTTTGM2SMN1; SMN2CASP1FOLH1
SCHEMBL6748819 0.81 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.81 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1

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 7 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-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-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 HTT 554/4885TGM2 3693/4885LMNA 1285/4885
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885LMNA 956/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885LMNA 956/4885

“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.