SCHEMBL5377989

SCHEMBL5377989

c1ncc(N2CCCCC2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HRH4 Q9H3N8 8/20 0.42
HRH3 Q9Y5N1 8/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 3/20 0.39
DAO P14920 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
AKT2 P31751 1/20 0.37
MAP3K5 Q99683 1/20 0.37
HTR3A P46098 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CDC42BPB Q9Y5S2 2/20 0.36
CDC42BPA Q5VT25 1/20 0.36
CHKA P35790 1/20 0.35

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
SCHEMBL5374618 0.98 ALDH1A1 (0.43) ALDH1A1HRH4HRH3ADRA1AHRH1
SCHEMBL10932520 0.74 PARP1 (0.37) ALDH1A1HRH4HRH3ADRA1AHRH1
SCHEMBL10935469 0.72 TSHR (0.47) ALDH1A1HRH4HRH3HRH1ALOX15
SCHEMBL27898002 0.72 HRH3 (0.40) HRH4HRH3ROCK2ROCK1CDC42BPB
SCHEMBL30586651 0.71 KDM4E (0.49) HRH3HTTLMNA
SCHEMBL5387433 0.70 LMNA (0.39) HRH4HRH3HTTLMNAROCK2
SCHEMBL18991207 0.68 ALDH1A1 (0.34) ALDH1A1HRH4HRH3HRH1
SCHEMBL5365946 0.63 LMNA (0.40) ALDH1A1HRH4HRH1DAOHTT
SCHEMBL4961403 0.61 BCHE (0.38) ALDH1A1ADRA1AHTTLMNAALOX15
SCHEMBL31145125 0.61 TSHR (0.42) ALDH1A1DAOLMNAROCK2ROCK1

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 ALDH1A1 415/4885HRH4 1050/4885HRH3 1105/4885

“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.