SCHEMBL6403682

SCHEMBL6403682

CCOc1cc(N)[n+]([O-])c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL6402618 0.85 TLR8 (0.37) ALDH1A1RAB9AMAPK1NPC1TLR8
SCHEMBL8687585 0.84 ALDH1A1 (0.40) ALDH1A1RAB9AMAPK1NPC1PIK3CD
SCHEMBL6403120 0.84 ALDH1A1 (0.40) ALDH1A1RAB9AMAPK1NPC1PIK3CD
SCHEMBL6403131 0.82 TLR8 (0.40) TLR8TSHR
SCHEMBL6401579 0.82 TLR8 (0.40) TLR8TSHR
SCHEMBL6397725 0.82 TLR8 (0.40) TLR8TSHR
SCHEMBL7634469 0.80 NPC1 (0.37) ALDH1A1RAB9AMAPK1NPC1PIK3CD
SCHEMBL6403072 0.79 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2CYP3A4
SCHEMBL7635304 0.79 NPC1 (0.36) ALDH1A1RAB9AMAPK1NPC1PIK3CD
SCHEMBL7636300 0.77 NPC1 (0.35) ALDH1A1RAB9AMAPK1NPC1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356271-B1 2,4-Diamino-pyrimidine-3-oxide derivatives and their use in the treatment and the prevention of hair drop OREAL (FR) 1995-04-05 EP claimed
US-4973474-A 2,4-diaminopyrimidine 3-oxide derivatives and their use for the treatment and prevention of hair loss L'OREAL (FR) 1990-11-27 US claimed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
US-4973474-A 2,4-diaminopyrimidine 3-oxide derivatives and their use for the treatment and prevention of hair loss L'OREAL (FR) 1990-11-27 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-20050049232-A1 Composition CUTA, LIPG, LIPA ALDH1A1 1751/4885RAB9A 4327/4885MAPK1 2907/4885

“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.