SCHEMBL6403072

SCHEMBL6403072

COc1cc(N)[n+]([O-])c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GRM4 Q14833 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 1/20 0.32
HTR6 P50406 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE2A O00408 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8692425 0.82 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6403682 0.79 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7640097 0.78 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6402618 0.75 TLR8 (0.37) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6396670 0.74
SCHEMBL7633778 0.74 PGK1 (0.36) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL10719493 0.74 MEN1 (0.44) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6401579 0.73 TLR8 (0.40)
SCHEMBL6403131 0.73 TLR8 (0.40)
SCHEMBL6397725 0.73 TLR8 (0.40)

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 8 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
JP-2078666-A None JP disclosed
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
JP-H0278666-A NEW 2,4-DIAMINOPYRIMIDINE 3-OXIDE DERIVATIVE AND COMPOSITION CONTAINING IT L'OREAL SA 1990-03-19 JP 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 1751/4885NPC1 2500/4885RAB9A 4327/4885

“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.