SCHEMBL7088060

SCHEMBL7088060

CSc1ccc(C(=O)C(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
GRM5 P41594 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLK1 P53350 1/20 0.40
RAB9A P51151 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
SCHEMBL15209661 0.82 GSK3B (0.59) GSK3BGRM5KMT2AALDH1A1CES2
SCHEMBL7084885 0.79 GSK3B (0.54) GSK3BGRM5SIRT2KMT2AMEN1
SCHEMBL7090904 0.78 PARP1 (0.50) KMT2AMEN1MAPTSMN1; SMN2CES2
SCHEMBL7090547 0.76 CES2 (0.65) ALDH1A1MAPTMAPK1CES2CES1
SCHEMBL5859663 0.76 PLK1 (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9342487 0.75 P4HB (0.72) P4HB
SCHEMBL9342479 0.75 P4HB (0.72) P4HB
SCHEMBL11786369 0.75 GSK3B (0.59) GSK3BGRM5KMT2AMEN1ALDH1A1
SCHEMBL11757430 0.74 CA1 (0.50) GSK3BSIRT2KMT2AMEN1CYP1A2
SCHEMBL39137 0.73 GSK3B (0.61) GSK3BGRM5KMT2AMEN1ALDH1A1

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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 GSK3B 3842/4885GRM5 2041/4885SIRT2 1331/4885

“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.