SCHEMBL5368015

SCHEMBL5368015

Cc1ncc(N2CCCC2)n1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GAA P10253 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PDE10A Q9Y233 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5371582 0.98 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5372887 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5375104 0.77 HSD17B10 (0.40) ALDH1A1LMNAMAPK1TSHRKMT2A
SCHEMBL5371605 0.76 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1TSHRKMT2A
SCHEMBL5375003 0.75 KMT2A (0.40) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5378564 0.74 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5374192 0.74 KMT2A (0.41) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5387392 0.73 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1TSHRKMT2A
SCHEMBL7455961 0.72 LMNA (0.56) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5369820 0.69 LMNA (0.53) ALDH1A1LMNAMAPK1THRBTSHR

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 415/4885LMNA 1593/4885MAPK1 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.