SCHEMBL7090744

SCHEMBL7090744

Cc1ccc(C(=O)C(=O)c2cccc(-c3ccc(F)cc3)c2-c2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.37
HNF4A P41235 1/20 0.37
MYC P01106 1/20 0.36
ABL1 P00519 1/20 0.35
TP53 P04637 1/20 0.35
HAO2 Q9NYQ3 1/20 0.35

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
SCHEMBL7091362 0.88 PTGS2 (0.45)
SCHEMBL7089421 0.84 PTGER2 (0.41) SLC6A4SLC6A3MEN1KMT2AHDAC1
SCHEMBL7085446 0.81 SLC6A4 (0.40) SLC6A4SLC6A3MAPTL3MBTL1HTT
SCHEMBL7088117 0.79 ALDH1A1 (0.52) SLC6A4SLC6A3CES2CES1MAPT
SCHEMBL7089418 0.79 AKR1C3 (0.42) SLC6A4SLC6A3CES2CES1MAPT
SCHEMBL3806469 0.75 HNF4A (0.53) CES2CES1MAPTMEN1KMT2A
SCHEMBL7085296 0.73 PTGER2 (0.40) SLC6A4SLC6A3MAPTMEN1KMT2A
SCHEMBL7085151 0.73 PTGS2 (0.41)
SCHEMBL7090740 0.72 SLC6A4 (0.41) SLC6A4SLC6A3CES2CES1MEN1
SCHEMBL30370009 0.72 BCAT2 (0.57) SLC6A4SLC6A3MAPTHTTHNF4A

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 SLC6A4 2737/4885SLC6A3 3343/4885CES2 984/4885

“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.