SCHEMBL7084404

SCHEMBL7084404

COc1ccc(C(O)(C(=O)c2ccccc2)c2ccccc2)c(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
GAA P10253 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CES1 P23141 1/20 0.36
CNR2 P34972 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CLCN2 P51788 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34

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 0.83 DDR1 (0.34) CES1KDM4EALDH1A1LMNA
SCHEMBL7089416 0.78 CYP2C9 (0.37) KMT2AMEN1CES1RAB9ANPC1
SCHEMBL7090145 0.76 PLK4 (0.37) KMT2AMEN1CES1RAB9ANPC1
SCHEMBL8800962 0.76 ALDH1A1 (0.51) GAAKMT2AMEN1CES1RAB9A
SCHEMBL7089413 0.76 DDR1 (0.35) CES1ALDH1A1LMNA
SCHEMBL7090546 0.75 CES1 (0.36) NR3C2GAAKMT2AMEN1CES1
SCHEMBL7085133 0.75 CES1 (0.36) NR3C2GAAKMT2AMEN1CES1
SCHEMBL7088115 0.70 SLC6A4 (0.42) GAAKMT2AMEN1CES1RAB9A
Methoxymethane SCHEMBL11536323 0.68 CES1 (0.61) GAAKMT2AMEN1CES1SRC
SCHEMBL7089474 0.67 PPARG (0.39) CES1MAPTMAPK1ALDH1A1

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 NR3C2 48/4885GAA 4611/4885KMT2A 2522/4885

“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.