SCHEMBL5376301

SCHEMBL5376301

Clc1nc[nH]c1N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
AKT2 P31751 1/20 0.42
MAP3K5 Q99683 1/20 0.42
IP6K1 Q92551 4/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
TYMP P19971 2/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 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
SCHEMBL5374702 0.98 IP6K1 (0.41) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL4884979 0.71 HTT (0.45) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL5128047 0.64 HTT (0.50) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL2058887 0.64 HTT (0.44) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL4905421 0.64 ADORA3 (0.65) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL14183739 0.64 ADORA3 (0.42) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL5371649 0.63 TYMP (0.40) HTTLMNATP53TYMPMEN1
SCHEMBL19240314 0.63 GFER (0.47) HTTLMNAMAPK1MEN1GFER
SCHEMBL14183741 0.61 HTT (0.41) HTTLMNAALOX15AKT2MAP3K5
SCHEMBL8939237 0.60 HTT (0.58) HTTLMNAALOX15AKT2MAP3K5

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 HTT 4672/4885LMNA 1593/4885ALOX15 3812/4885

“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.