SCHEMBL7635304

SCHEMBL7635304

CCNc1cc(OCC)nc(N)[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAPK8 P45983 1/20 0.31

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
SCHEMBL7636300 0.88 NPC1 (0.35) NPC1ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL7633102 0.88 ADORA3 (0.36) ALDH1A1HTTMAPK8
SCHEMBL7636319 0.87 MEN1 (0.38) NPC1ALDH1A1MAPK1RAB9AMAPK8
SCHEMBL7633778 0.86 PGK1 (0.36) NPC1ALDH1A1RAB9AHTT
SCHEMBL7634469 0.86 NPC1 (0.37) NPC1ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL7640054 0.86 TLR8 (0.38) NPC1ALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL7124810 0.85 TLR8 (0.34) NPC1ALDH1A1MAPK1RAB9AHTT
SCHEMBL7126094 0.84 MAPT (0.35) NPC1ALDH1A1MAPK1RAB9AHTT
SCHEMBL7123826 0.84 MAPT (0.35) NPC1ALDH1A1MAPK1RAB9AHTT
SCHEMBL7125685 0.84 MAPT (0.35) NPC1ALDH1A1MAPK1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US claimed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 US claimed
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US disclosed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 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-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS TPMT, IL33, PTGS2 NPC1 4644/4885ALDH1A1 1072/4885MAPK1 1615/4885

“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.