SCHEMBL7105969

SCHEMBL7105969

COc1n[c]oc1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RPS6KB2 Q9UBS0 2/20 0.40
KDM4E B2RXH2 7/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 6/20 0.37
ALDH1A1 P00352 7/20 0.37
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MAPK1 P28482 4/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL7109776 0.71 SMPD3 (0.40)
SCHEMBL7111538 0.69 RPS6KB2 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5758443 0.68 MAOB (0.39) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7451243 0.68 ADORA2A (0.42) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7444732 0.68 NPC1 (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7456738 0.67 NPC1 (0.39) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5469628 0.66 MEN1 (0.33) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL17181335 0.65 NISCH (0.35) NPC1RAB9AKDM4EMAPTHSD17B10
SCHEMBL8030948 0.62 RPS6KB2 (0.59) NPC1RAB9ARPS6KB2KDM4EHSD17B10
SCHEMBL7761892 0.61 TDO2 (0.38) NPC1RAB9AKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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 (1 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 NPC1 3537/4885RAB9A 1158/4885CASP3 500/4885

“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.