SCHEMBL6844336

SCHEMBL6844336

NCCCn1cnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.64
MAPK13 O15264 9/20 0.64
MAPK12 P53778 9/20 0.64
MAPK11 Q15759 9/20 0.64
MAP4K4 O95819 2/20 0.63
MAPK9 P45984 2/20 0.63
CSNK1A1 P48729 2/20 0.63
CSNK1D P48730 2/20 0.63
MAP4K5 Q9Y4K4 2/20 0.63
PRKD3 O94806 1/20 0.63
FRK P42685 1/20 0.63
GSK3B P49841 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
PTGS2 P35354 4/20 0.56
NSD3 Q9BZ95 1/20 0.50
CDC42BPA Q5VT25 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAPK10 P53779 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44

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
SCHEMBL5093475 0.95 MAP4K4 (0.62) MAPK14MAPK13MAPK12MAPK11MAP4K4
Butane SCHEMBL6597442 0.94 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8475690 0.90 PTGS2 (0.59) MAPK14MAPK13MAPK12MAPK11MAP4K4
Butane SCHEMBL6598276 0.90 MAP4K4 (0.56) MAPK14MAPK13MAPK12MAPK11MAP4K4
Butane SCHEMBL6590914 0.89 MAP4K4 (0.55) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL14288452 0.84 MAP4K4 (0.86) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL10441604 0.84 MAP4K4 (0.63) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL10801666 0.83 PRKD3 (0.62) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5924255 0.83 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8656772 0.83 MAP4K4 (0.62) MAPK14MAPK13MAPK12MAPK11MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162328-A1 Compounds of the family of 3-alkyl-(4,5-diphenyl-imidazol-1-yl) and their use as soothing agents L'OREAL (FR) 2004-08-19 US claimed
US-20040162328-A1 Compounds of the family of 3-alkyl-(4,5-diphenyl-imidazol-1-yl) and their use as soothing agents L'OREAL (FR) 2004-08-19 US 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-20040162328-A1 Compounds of the family of 3-alkyl-(4,5-diphenyl-imidazol-1-yl) and their use as soothing agents TRPV1, TRPA1, TRPV3 MAPK14 1928/4885MAPK13 3380/4885MAPK12 3724/4885

“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.