SCHEMBL5367538

SCHEMBL5367538

Clc1nc(-c2ccccc2)n(-c2ccccc2)c1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TSHR P16473 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39

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
SCHEMBL5365956 0.98 ALDH1A1 (0.40) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL5374671 0.84 HTT (0.43) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL5369241 0.82 HTT (0.43) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL5369270 0.81 NPY5R (0.44) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL5367541 0.79 ADORA2A (0.45) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL5387371 0.79 KMT2A (0.43) KDM4EPI4KAPI4K2BPI4K2API4KB
SCHEMBL5374987 0.79 AR (0.36) ALDH1A1KDM4EHPGDHSD17B10AR
SCHEMBL5365961 0.78 KDM4E (0.44) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL5365977 0.75 HTT (0.39) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL5371934 0.73 HTT (0.40) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2

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 415/4885KDM4E 452/4885PI4KA 2875/4885

“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.