SCHEMBL6741673

SCHEMBL6741673

CC(CO)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
PTGS2 P35354 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TRPA1 O75762 2/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
FRK P42685 1/20 0.30
MAPK9 P45984 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
GSK3B P49841 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
MAP4K5 Q9Y4K4 1/20 0.30
GCGR P47871 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL6665929 0.83 TRPA1 (0.32) TRPA1
SCHEMBL6666547 0.81 TRPA1 (0.31) TRPA1GCGR
SCHEMBL3855008 0.71 NSD3 (0.46) LMNAPTGS2PRKD3MAP4K4FRK
SCHEMBL12907335 0.70 CYP11B1 (0.37) LMNAPTGS2ALDH1A1
SCHEMBL7377819 0.67 CYP11B1 (0.37) LMNAPTGS2
SCHEMBL25147201 0.65 NSD3 (0.46) LMNAPTGS2ALDH1A1
SCHEMBL7404048 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7310245 0.65 CYP11B1 (0.34) KDM4EALDH1A1
SCHEMBL3855448 0.64 NSD3 (0.38) LMNAPTGS2KDM4EALDH1A1
SCHEMBL6885776 0.64 CYP2C19 (0.33) KDM4EALDH1A1

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-20040127718-A1 Substituted imidazoles NOVO NORDISK A/S (DK) 2004-07-01 US disclosed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 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 (2 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-20030181479-A1 Substituted imidazoles HRH3, HRH4, HRH2 LMNA 4725/4885PTGS2 922/4885KDM5A 1386/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 LMNA 4725/4885PTGS2 922/4885KDM5A 1386/4885

“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.