SCHEMBL6399183

SCHEMBL6399183

CCCNc1cc(N2CCCCC2)nc(N)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HRH4 Q9H3N8 7/20 0.38
NPY5R Q15761 1/20 0.36
CXCR4 P61073 1/20 0.36
CYP1A2 P05177 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7523111 0.90 NUDT1 (0.38) NUDT1KMT2AMEN1SMN1; SMN2CRHBP
SCHEMBL7521998 0.87 HRH4 (0.43) NUDT1LMNAKMT2ASMN1; SMN2CRHBP
SCHEMBL6765511 0.86 MEN1 (0.41) NUDT1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14269185 0.84 HRH4 (0.36) NUDT1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6761125 0.82 NUDT1 (0.52) NUDT1LMNAKMT2ASMN1; SMN2CRHBP
SCHEMBL6397494 0.81 NUDT1 (0.51) NUDT1LMNAKMT2ASMN1; SMN2CRHBP
SCHEMBL7512888 0.79 HTT (0.55) LMNAKMT2AMEN1SMN1; SMN2CRHBP
SCHEMBL9876946 0.79 ALDH1A1 (0.44) LMNAKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL11189488 0.78 ALDH1A1 (0.43) NUDT1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14269186 0.78 BCHE (0.35) NUDT1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736300-B1 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase OREAL (FR) 2003-03-05 EP claimed
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide PRUCHE FRANCIS (FR) 2002-08-01 US claimed
EP-0829260-B1 Use of at least one pyrimidine derivative substituted in position 6 as stimulant of tyrosinase OREAL (FR) 2002-05-15 EP claimed
US-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 US claimed
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US claimed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP claimed
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
EP-1002536-B1 2-Amino, 4-alkylamino pyrimidine 3-oxydes as soothing agents for the skin OREAL (FR) 2004-06-30 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
EP-0736300-B1 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase OREAL (FR) 2003-03-05 EP disclosed
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide PRUCHE FRANCIS (FR) 2002-08-01 US disclosed
US-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 US disclosed
US-5772990-A Composition for slowing down the loss of hair based on pyrimidine N-oxides triaminosubstituted or their sulfoconjugated L'OREAL (FR) 1998-06-30 US disclosed
US-5756092-A DRUGS OR COSMETIC MIXTURE TREATING SKIN DISORDERS, ALOPECIA SOCIETEL'OREAL S.A. (FR) 1998-05-26 US disclosed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP disclosed
EP-0736300-A2 Use in a composition of a pyrimidine derivative substituted in position 6 as an activator and/or stabilizer of cyclooxygenase L'OREAL (FR) 1996-10-09 EP 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 (2 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-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide TYR, TH, MC1R NUDT1 38/4885LMNA 4571/4885KMT2A 3707/4885
US-20050049232-A1 Composition CUTA, LIPG, LIPA NUDT1 4169/4885LMNA 212/4885KMT2A 4126/4885

“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.