SCHEMBL7085294

SCHEMBL7085294

CSc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 3/20 0.36
PTGS2 P35354 1/20 0.34
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
KLK7 P49862 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KLK14 Q9P0G3 1/20 0.32
KLK5 Q9Y337 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31

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
SCHEMBL7089420 0.89 SLC6A4 (0.39) SLC6A4SLC6A3LMNAPTGS2CES2
SCHEMBL7088115 0.82 SLC6A4 (0.42) SLC6A4SLC6A3LMNACES2CES1
SCHEMBL7090740 0.78 SLC6A4 (0.41) SLC6A4SLC6A3LMNAPTGS2CES2
SCHEMBL7085149 0.78 PTGS2 (0.40) PTGS2
SCHEMBL7085442 0.76 SLC6A4 (0.39) SLC6A4SLC6A3CES2CES1KMT2A
SCHEMBL7486567 0.75 AR (0.42) SLC6A4SLC6A3CES2CES1ALDH1A1
SCHEMBL7488198 0.69 PTGS2 (0.40) PTGS2
SCHEMBL7085231 0.69 PTGS2 (0.48) PTGS2CES2CES1
SCHEMBL29972427 0.68 CES2 (0.67) LMNACES2CES1RAB9AALDH1A1
SCHEMBL7089401 0.68 SMN1; SMN2 (0.37) CES2CES1KMT2AGAARAB9A

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 3343/4885LMNA 3992/4885

“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.