SCHEMBL5375032

SCHEMBL5375032

Cn1c(N2CCCCC2)cnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5378550 0.98 HPGDS (0.47) HPGDSALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5366157 0.79 NPC1 (0.45) ALDH1A1HSD17B10NPC1RAB9AMAPK1
SCHEMBL5371605 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10NPC1RAB9AMAPK1
SCHEMBL5374602 0.77 NPC1 (0.43) ALDH1A1HSD17B10NPC1RAB9AMAPK1
SCHEMBL5383817 0.77 IRAK4 (0.41) HPGDSALDH1A1MAPK1LMNAKDM4E
SCHEMBL5387392 0.75 ALDH1A1 (0.42) ALDH1A1HSD17B10NPC1RAB9AMAPK1
SCHEMBL5378564 0.73 ALDH1A1 (0.39) ALDH1A1HSD17B10NPC1RAB9AMAPK1
SCHEMBL5369270 0.72 NPY5R (0.44) ALDH1A1HSD17B10NPC1RAB9ALMNA
SCHEMBL3497064 0.72 CYP11B1 (0.57) HPGDSRAB9AKMT2ADRD2DRD3
SCHEMBL8453399 0.71 HPGDS (0.58) HPGDSALDH1A1HSD17B10NPC1RAB9A

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 HPGDS 1550/4885ALDH1A1 415/4885HSD17B10 1960/4885

“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.