SCHEMBL10110733

SCHEMBL10110733

CCCCOc1ccc2cc(C#CCCNC(=O)OCc3ccccc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
BRD4 O60885 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL16572113 0.90 L3MBTL1 (0.51) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL10115774 0.89 L3MBTL1 (0.51) L3MBTL1MAPTLMNASMN1; SMN2HTT
SCHEMBL10110703 0.85 L3MBTL1 (0.47) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL708344 0.84 LMNA (0.49) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL708335 0.84 L3MBTL1 (0.44) L3MBTL1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL708461 0.82 L3MBTL1 (0.44) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL15839464 0.80 HTT (0.55) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL10110750 0.80 L3MBTL1 (0.60) L3MBTL1MAPTLMNASMN1; SMN2MEN1
SCHEMBL15807562 0.80 CTSL (0.48) L3MBTL1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL15802497 0.78 CTSL (0.46) L3MBTL1MAPTLMNASMN1; SMN2RAB9A

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 L3MBTL1 4800/4885MAPT 2102/4885LMNA 1285/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B L3MBTL1 4580/4885MAPT 1110/4885LMNA 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.