SCHEMBL6404443

SCHEMBL6404443

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 1/20 0.37
NUDT1 P36639 1/20 0.34
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
APP P05067 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
SCHEMBL7518385 0.92 DNM2 (0.44) DNM2NUDT1
SCHEMBL8599872 0.88 NUDT1 (0.36) DNM2NUDT1
SCHEMBL6768499 0.84 DNM2 (0.38) DNM2ESR1ESR2
SCHEMBL6398903 0.79 TLR8 (0.38) DNM2
SCHEMBL8602832 0.79 MAPT (0.38) MAPTAPP
SCHEMBL7642550 0.77 CYP1A2 (0.33) MAPTAPP
SCHEMBL8599974 0.77 DNM2 (0.37) DNM2NUDT1MAPTESR1ESR2
SCHEMBL8598479 0.76 NUDT1 (0.36) NUDT1
SCHEMBL7636300 0.75 NPC1 (0.35) MAPT
SCHEMBL7632057 0.74 ADORA3 (0.33) MAPT

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 25 patents — showing the first 20. 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-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 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-0519819-B1 Composition for use to reduce hair loss and to induce and stimulate its growth, containing derivatives of 2,4,6-triaminopyrimidin-N-oxide and the new derivatives of 2,4,6-triaminopyrimidin-N-oxide OREAL (FR) 1995-07-19 EP claimed
JP-5186315-A None JP disclosed
EP-1097980-B1 Bathophenanthroline compound and process for preparing same SONY CORP (JP) 2012-07-04 EP disclosed
US-20050073641-A1 Bathophenanthroline compound and process for preparing same SHIBANUMA TETSUO (JP) 2005-04-07 US disclosed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
US-20040265626-A1 Optical recording medium JOLED INC. (JP) 2004-12-30 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP 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
JP-H05186315-A HAIR-THINNING SUPPRESSIVE COMPOSITION L'OREAL SA 1993-07-27 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 (3 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-20050073641-A1 Bathophenanthroline compound and process for preparing same BZW1, BZW2, RPAP1 DNM2 2650/4885NUDT1 967/4885MAPT 3832/4885
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide TYR, TH, MC1R DNM2 3991/4885NUDT1 38/4885MAPT 3671/4885
US-20050049232-A1 Composition CUTA, LIPG, LIPA DNM2 3584/4885NUDT1 4169/4885MAPT 3490/4885

“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.