SCHEMBL6401579

SCHEMBL6401579

CCCCCCOc1cc(N)[n+]([O-])c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
TSHR P16473 1/20 0.39
MCHR1 Q99705 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
NOS1 P29475 1/20 0.36
SOAT1 P35610 1/20 0.36
SMPD1 P17405 1/20 0.35
DHFR P00374 3/20 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
SCHEMBL6403131 1.00 TLR8 (0.40) TLR8CDK1CCNB1TSHRMCHR1
SCHEMBL6397725 1.00 TLR8 (0.40) TLR8CDK1CCNB1TSHRMCHR1
SCHEMBL6402618 0.94 TLR8 (0.37) TLR8CDK1CCNB1TSHRMCHR1
SCHEMBL6403682 0.82 ALDH1A1 (0.41) TLR8TSHR
SCHEMBL6402675 0.80 MAPT (0.38) TLR8CDK1CCNB1TSHRMCHR1
SCHEMBL8689288 0.80 MEN1 (0.38) TLR8CDK1CCNB1TSHRMCHR1
SCHEMBL7121610 0.80 DNM2 (0.33) TLR8CDK1CCNB1TSHRNOS1
SCHEMBL7117869 0.80 DNM2 (0.33) TLR8CDK1CCNB1TSHRNOS1
SCHEMBL7122685 0.80 DNM2 (0.33) TLR8CDK1CCNB1TSHRNOS1
SCHEMBL7121624 0.80 DNM2 (0.33) TLR8CDK1CCNB1TSHRNOS1

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 TLR8 2389/4885CDK1 3554/4885CCNB1 1533/4885

“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.