SCHEMBL5378096

SCHEMBL5378096

CN(C)c1ncn(CCO)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.37
ADORA2B P29275 1/20 0.37
MAT2A P31153 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL5378094 0.75 LMNA (0.37) CYP1A2CYP2D6MAPK1LMNAADORA2B
SCHEMBL17895776 0.75 NPSR1 (0.51) CYP1A2LMNAADORA2BADORA2AADORA1
SCHEMBL5368005 0.72 ADORA2A (0.50) LMNAADORA2BADORA2AADORA1PDE4A
SCHEMBL5378181 0.71 YTHDC1 (0.40) LMNAADORA2BADORA2AADORA1PDE4A
SCHEMBL5371753 0.67 HTT (0.42) CYP2D6MAPK1LMNAADORA2BADORA2A
SCHEMBL5365934 0.66 ALDH1A1 (0.37) CYP2D6LMNAADORA2AADORA1PDE4A
SCHEMBL5371086 0.65 ALDH1A1 (0.39) CYP2D6LMNAADORA2AADORA1PDE4A
SCHEMBL5378177 0.64 LMNA (0.37) LMNAADORA2BADORA2AADORA1PDE4A
SCHEMBL5383809 0.64 KMT2A (0.43) MAPK1LMNAMAT2A
SCHEMBL5368001 0.64 ADORA2A (0.46) CYP1A2LMNAADORA2BADORA2AADORA1

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
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
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP 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 CYP1A2 1784/4885CYP2D6 2109/4885MAPK1 2658/4885

“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.