SCHEMBL5374702

SCHEMBL5374702

Clc1nc[nH]c1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 9/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
AKT2 P31751 1/20 0.40
MAP3K5 Q99683 1/20 0.40
ADORA3 P0DMS8 4/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
IP6K3 Q96PC2 1/20 0.36
TYMP P19971 2/20 0.35
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 1/20 0.34
POLB P06746 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
SCHEMBL5376301 0.98 HTT (0.42) IP6K1HTTTP53MAPK1LMNA
SCHEMBL4884979 0.68 HTT (0.45) IP6K1HTTTP53MAPK1LMNA
SCHEMBL14183741 0.62 HTT (0.41) IP6K1HTTTP53MAPK1LMNA
SCHEMBL1193310 0.62 MAPT (0.47) IP6K1LMNAALOX15IP6K3POLB
SCHEMBL14183739 0.61 ADORA3 (0.42) IP6K1HTTTP53MAPK1LMNA
SCHEMBL4905421 0.61 ADORA3 (0.65) HTTTP53MAPK1LMNAALOX15
SCHEMBL5371947 0.61 TYMP (0.38) TP53LMNATYMPGFER
SCHEMBL5128047 0.61 HTT (0.50) HTTTP53MAPK1LMNAALOX15
SCHEMBL2058887 0.61 HTT (0.44) HTTTP53MAPK1LMNAALOX15
SCHEMBL12813877 0.61 GFER (0.44) HTTMAPK1LMNAMEN1GFER

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 IP6K1 1023/4885HTT 4672/4885TP53 1545/4885

“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.