SCHEMBL5382991

SCHEMBL5382991

Nc1nc(-c2ccccc2)n(CCO)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
DHODH Q02127 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
PDE4B Q07343 1/20 0.39
EGFR P00533 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5382989 0.81 HTT (0.43) ADORA1ADORA3ADORA2AADORA2BHTT
SCHEMBL5371351 0.78 DHODH (0.43) ADORA2BHTTKDM4EDHODHALDH1A1
SCHEMBL5376001 0.78 DHODH (0.43) ADORA2BKDM4EDHODHALDH1A1HSD17B10
SCHEMBL5387424 0.77 ALDH1A1 (0.50) KDM4EDHODHALDH1A1HSD17B10HPGD
SCHEMBL5371936 0.76 ALDH1A1 (0.42) ADORA2AHTTKDM4EDHODHALDH1A1
SCHEMBL5375130 0.75 ADORA2A (0.51) ADORA1ADORA3ADORA2AADORA2BHTT
SCHEMBL5365982 0.75 ALDH1A1 (0.42) ADORA2AHTTKDM4EALDH1A1HSD17B10
SCHEMBL5383922 0.73 KMT2A (0.45) ADORA1ADORA3ADORA2AADORA2BHTT
SCHEMBL5375998 0.72 DHODH (0.43) HTTKDM4EDHODHALDH1A1HSD17B10
SCHEMBL5371347 0.72 DHODH (0.43) HTTKDM4EDHODHALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US claimed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US disclosed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 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-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 ADORA1 4335/4885ADORA3 4352/4885ADORA2A 4607/4885

“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.