SCHEMBL10110708

SCHEMBL10110708

CCCCOc1ccc(CCCCNC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 4/20 0.48
TGM2 P21980 1/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MTNR1B P49286 4/20 0.44
FAAH O00519 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL10115731 0.88 MAPT (0.52) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL707615 0.83 HTT (0.46) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10110709 0.82 HTT (0.55) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL707237 0.81 HTT (0.56) L3MBTL1HTTLMNASMN1; SMN2TGM2
SCHEMBL705283 0.81 HTT (0.49) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL16572119 0.80 L3MBTL1 (0.47) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL8290406 0.79 HTT (0.70) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL16804706 0.78 HTT (0.62) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL15834318 0.78 HTT (0.50) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16692630 0.78 HTT (0.68) L3MBTL1MAPTHTTLMNASMN1; 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 3 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 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 (2 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 SLC2A1 1218/4885L3MBTL1 4800/4885MAPT 2102/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B SLC2A1 2461/4885L3MBTL1 4580/4885MAPT 1110/4885

“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.