SCHEMBL5374618

SCHEMBL5374618

c1ncc(N2CCCC2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 8/20 0.41
HRH4 Q9H3N8 6/20 0.41
HRH1 P35367 3/20 0.40
ADRA1A P35348 1/20 0.40
CHKA P35790 1/20 0.37
FKBP5 Q13451 1/20 0.36
HTT P42858 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
DAO P14920 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
AKT2 P31751 1/20 0.34
MAP3K5 Q99683 1/20 0.34
IP6K1 Q92551 1/20 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
SCHEMBL5377989 0.98 ALDH1A1 (0.46) ALDH1A1HRH3HRH4HRH1ADRA1A
SCHEMBL10935469 0.74 TSHR (0.47) ALDH1A1HRH3HRH4HRH1ALOX15
SCHEMBL27898002 0.74 HRH3 (0.40) HRH3HRH4
SCHEMBL5387433 0.71 LMNA (0.39) HRH3HRH4HTTMAPK1LMNA
SCHEMBL18991207 0.70 ALDH1A1 (0.34) ALDH1A1HRH3HRH4HRH1FKBP5
SCHEMBL9090107 0.61 TAAR1 (0.55) ALDH1A1TP53MAPK1LMNAALOX15
SCHEMBL5378266 0.61 LMNA (0.37) ALDH1A1HRH4HRH1HTTMAPK1
SCHEMBL261863 0.60 GFER (0.39) ALDH1A1CHKAHTTTP53MAPK1
SCHEMBL5365946 0.60 LMNA (0.40) ALDH1A1HRH4HRH1HTTMAPK1
SCHEMBL8312655 0.59 DAO (0.34) DAOLMNA

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 7 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
EP-3371190-B1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2022-03-30 EP disclosed
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 415/4885HRH3 1105/4885HRH4 1050/4885

“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.