SCHEMBL19934860

SCHEMBL19934860

CCC(C)(C)c1ccc(COC)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HRH3 Q9Y5N1 12/20 0.34
MAOB P27338 8/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL16133696 0.84 PIK3CD (0.38) RAB9AMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL10285101 0.82 NPC1 (0.38) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL22752560 0.77 NPC1 (0.33) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL18852693 0.75 MAPT (0.40) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL15833799 0.72 PIK3CD (0.40) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12295857 0.72 NPC1 (0.39) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL10180151 0.72 NPC1 (0.47) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL17433153 0.72 NPC1 (0.39) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL19965712 0.71 MAPT (0.46) NPC1RAB9AMAPTPIK3CDPIK3CA
SCHEMBL18745777 0.71 TRPV1 (0.41) NPC1RAB9AMAPTHRH3MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 US disclosed
US-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 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-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS NPC1 57/4885RAB9A 1871/4885MAPT 4252/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR NPC1 953/4885RAB9A 4068/4885MAPT 4625/4885

“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.