SCHEMBL7089420

SCHEMBL7089420

CSc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 3/20 0.37
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32

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
SCHEMBL7085294 0.89 SLC6A4 (0.37) SLC6A4SLC6A3LMNACES2CES1
SCHEMBL7085149 0.88 PTGS2 (0.40) PTGS2
SCHEMBL7090740 0.84 SLC6A4 (0.41) SLC6A4SLC6A3LMNACES2CES1
SCHEMBL7486567 0.77 AR (0.42) SLC6A4SLC6A3CES2CES1ALDH1A1
SCHEMBL7088115 0.75 SLC6A4 (0.42) SLC6A4SLC6A3LMNACES2CES1
SCHEMBL7085442 0.73 SLC6A4 (0.39) SLC6A4SLC6A3CES2CES1MEN1
SCHEMBL7091359 0.73 PTGS2 (0.45) PTGS2
SCHEMBL29972427 0.70 CES2 (0.67) LMNACES2CES1ALDH1A1MAPT
SCHEMBL7089401 0.70 SMN1; SMN2 (0.37) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL7085575 0.70 SMN1; SMN2 (0.40) LMNACES2CES1ALDH1A1MEN1

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.