SCHEMBL17048535

SCHEMBL17048535

COc1ccc(CNc2nc(Cc3ccccc3)ns2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 13/20 0.47
CYP1A2 P05177 13/20 0.47
CYP3A4 P08684 13/20 0.47
CYP2D6 P10635 13/20 0.47
CYP2C19 P33261 13/20 0.47
LMNA P02545 7/20 0.47
HSD17B10 Q99714 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
CYP2C9 P11712 6/20 0.46
USP2 O75604 5/20 0.46
ALOX15 P16050 3/20 0.46
APLNR P35414 1/20 0.46
CLK4 Q9HAZ1 6/20 0.44
MAPK1 P28482 5/20 0.44

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
SCHEMBL17048617 0.84 APLNR (0.50) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL352828 0.84 APLNR (0.50) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL14921907 0.80 APLNR (0.54) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL30585984 0.79 APLNR (0.52) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL21640422 0.79 APLNR (0.52) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL4861129 0.77 CYP1A2 (0.67) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL4959821 0.77 APLNR (0.42) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL13717864 0.73 DYRK1A (0.49) NPC1RAB9ALMNAHSD17B10SMN1; SMN2
SCHEMBL21640504 0.73 APLNR (0.46) NPC1RAB9APKMTSHRCYP1A2
SCHEMBL30585654 0.73 APLNR (0.46) NPC1RAB9APKMTSHRCYP1A2

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-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S NPC1 667/4885RAB9A 794/4885PKM 3999/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A NPC1 934/4885RAB9A 853/4885PKM 3901/4885

“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.