SCHEMBL5387433

SCHEMBL5387433

OC1CCN(c2cnc[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
HRH3 Q9Y5N1 10/20 0.36
CHUK O15111 1/20 0.36
HRH4 Q9H3N8 3/20 0.34
MPG P29372 1/20 0.34
AOC3 Q16853 1/20 0.34
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
PAK4 O96013 1/20 0.33
CHEK2 O96017 1/20 0.33
EGFR P00533 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL30586651 0.73 KDM4E (0.49) LMNAHTTHRH3
SCHEMBL27898002 0.71 HRH3 (0.40) ROCK2ROCK1CDC42BPBHRH3HRH4
SCHEMBL5371099 0.70 RAD52 (0.36) LMNAHTTAOC3PIM1IRAK4
SCHEMBL5377989 0.70 ALDH1A1 (0.46) LMNAHTTROCK2ROCK1CDC42BPB
SCHEMBL26951386 0.69 CHRNB2 (0.54) ROCK2ROCK1CDC42BPBAOC3CDK1
SCHEMBL28948672 0.68 ADRB2 (0.46) HRH3HRH4
SCHEMBL18991207 0.68 ALDH1A1 (0.34) HRH3HRH4AURKAMAPK12
SCHEMBL30498933 0.68 KDM5A (0.62) HRH3CHEK1JAK2
SCHEMBL30772932 0.68 KDM5A (0.62) HRH3CHEK1JAK2
SCHEMBL5374177 0.67 LMNA (0.43) LMNAHTTCHUKAOC3CDK1

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 LMNA 1593/4885HTT 4672/4885ROCK2 2002/4885

“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.