SCHEMBL6403623

SCHEMBL6403623

Nc1cc(OCCc2ccccc2)nc(N)[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.45
PPARG P37231 5/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGES O14684 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MPO P05164 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PSEN1 P49768 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL4652471 0.74 NUDT1 (0.45) NPC1RAB9ASMN1; SMN2NUDT1
SCHEMBL6401579 0.74 TLR8 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6403131 0.74 TLR8 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6403682 0.73 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2NUDT1
SCHEMBL10398841 0.73 ALOX5 (0.49) ALOX5PPARGNPC1RAB9APTGES
SCHEMBL6398146 0.71 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8692276 0.71 NUDT1 (0.50) ALOX5RAB9ASMN1; SMN2MPOCDK1
SCHEMBL11345202 0.71 RPS27 (0.44) NPC1RAB9ASMN1; SMN2NUDT1
SCHEMBL7150939 0.70 NPC1 (0.67) ALOX5PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6403072 0.68 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2

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 ALOX5 165/4885PPARG 266/4885NPC1 2500/4885

“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.