SCHEMBL5378577

SCHEMBL5378577

Cc1ncc(N(C)C)n1CCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
MAT2A P31153 1/20 0.32
ATM Q13315 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL5366237 0.77 HSD17B10 (0.41) ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7455961 0.76 LMNA (0.56) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5369820 0.73 LMNA (0.53) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5387391 0.71 ALDH1A1 (0.33) ALDH1A1MAPK1TSHRHSD17B10KMT2A
SCHEMBL5371955 0.70 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL11918312 0.69 LMNA (0.53) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL28699419 0.69 LMNA (0.49) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5371683 0.68 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1THRBTSHR
SCHEMBL5368015 0.67 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1THRBTSHR
Metronidazole SCHEMBL5313560 0.67 LMNA (1.00) 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.