SCHEMBL7089413

SCHEMBL7089413

CSc1ccc(C(O)(C(=O)c2ccccc2)c2ccccc2)c(-c2ccc(F)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNN4 O15554 6/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
PLK4 O00444 1/20 0.33
DAPK3 O43293 1/20 0.33
RPS6KA5 O75582 1/20 0.33
MAP4K4 O95819 1/20 0.33
ERBB2 P04626 1/20 0.33
PRKCG P05129 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
CDK2 P24941 1/20 0.33
AXL P30530 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PRKCI P41743 1/20 0.33
SYK P43405 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL7085175 0.89 DDR1 (0.34) DDR1CYP2C9KCNN4KCNE1KCNQ1
SCHEMBL7089416 0.85 CYP2C9 (0.37) CYP2C9KCNN4KCNE1KCNQ1PLK4
SCHEMBL7084404 0.76 NR3C2 (0.41) CES1ALDH1A1LMNA
SCHEMBL7089474 0.75 PPARG (0.39) DDR1CYP2C9KCNN4CES1PTGDR2
SCHEMBL7090145 0.74 PLK4 (0.37) CYP2C9KCNN4KCNE1KCNQ1PLK4
SCHEMBL7090546 0.70 CES1 (0.36) CYP2C9CES1ALDH1A1
SCHEMBL7085133 0.70 CES1 (0.36) CYP2C9CES1ALDH1A1
SCHEMBL8800479 0.70 KCNN4 (0.51) CYP2C9KCNN4KCNE1KCNQ1PLK4
SCHEMBL7089420 0.69 SLC6A4 (0.39) CES1ALDH1A1LMNAARBCL2L1
SCHEMBL7091315 0.68 CYP2C9 (0.35) CYP2C9CES1ALDH1A1LMNA

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 4 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
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 DDR1 1070/4885CYP2C9 529/4885KCNN4 2514/4885

“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.