SCHEMBL5367542

SCHEMBL5367542

Nc1c(Cl)nc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR1A P37288 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL12175968 0.80 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5376005 0.80 ALDH1A1 (0.49) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5176584 0.79 MEN1 (0.45) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5367545 0.79 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5375126 0.76 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5378318 0.76 AVPR1A (0.44) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5366123 0.76 AVPR1A (0.44) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5365956 0.72 ALDH1A1 (0.40) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5367538 0.71 ALDH1A1 (0.40) PI4KAPI4K2BPI4K2API4KBHTT
SCHEMBL5374628 0.70 TSHR (0.48) HTTMDM2ALDH1A1TSHRESR1

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 PI4KA 2875/4885PI4K2B 2338/4885PI4K2A 2611/4885

“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.