SCHEMBL5044668

SCHEMBL5044668

Cn1c(N)cc2c1cc(N)n2C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.46
S100B P04271 1/20 0.41
BRPF1 P55201 3/20 0.32
PABPC1 P11940 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKCI P41743 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5035871 0.84 ATAD2 (0.38) ATAD2S100B
SCHEMBL5173991 0.84 ATAD2 (0.38) ATAD2S100B
SCHEMBL5172880 0.81 S100B (0.40) ATAD2S100BSMN1; SMN2
SCHEMBL5039586 0.77 KDM4E (0.46) ATAD2KDM4EALDH1A1PRKCIMAPT
SCHEMBL5174022 0.76 HRH4 (0.33) ATAD2S100B
SCHEMBL5491094 0.76 ATAD2 (0.32) ATAD2S100B
SCHEMBL5172416 0.72 HRH4 (0.35) ATAD2KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5172187 0.72 KDM4E (0.30) ATAD2BRPF1KDM4EALDH1A1BRD4
SCHEMBL8065707 0.72 KMT2A (0.53) BRPF1HPGDKDM4EALDH1A1BRD4
SCHEMBL5039758 0.70 LMNA (0.36) PABPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B ATAD2 2865/4885S100B 378/4885BRPF1 947/4885

“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.