SCHEMBL7087777

SCHEMBL7087777

CSc1ccc(-c2cc(N(C)C)ccc2C(O)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM1A O60341 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KIF11 P52732 1/20 0.32
KCNK3 O14649 1/20 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
SCHEMBL7089474 0.84 PPARG (0.39) MAPK1TDP1ALDH1A1AKR1C3AKR1C2
SCHEMBL7091315 0.73 CYP2C9 (0.35) RAB9ANPC1KMT2AL3MBTL1MEN1
SCHEMBL7133863 0.71 RAB9A (0.46) NOX1RAB9ANPC1HPGDKMT2A
SCHEMBL7090546 0.71 CES1 (0.36) RAB9ANPC1HPGDKMT2AL3MBTL1
SCHEMBL7085133 0.71 CES1 (0.36) HPGDKMT2AL3MBTL1MEN1MAPK1
SCHEMBL7090214 0.69 CES1 (0.34) KMT2AL3MBTL1MEN1ALDH1A1AKR1C3
SCHEMBL7084394 0.68 PTGS2 (0.48)
SCHEMBL8801404 0.68 ALDH1A1 (0.43) RAB9ANPC1HPGDKMT2AL3MBTL1
SCHEMBL7085175 0.65 DDR1 (0.34) L3MBTL1TDP1ALDH1A1CYP2C9LMNA
SCHEMBL27648048 0.65 KIF11 (0.47) RAB9ANPC1KMT2AL3MBTL1MEN1

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 NOX1 478/4885RAB9A 3539/4885NPC1 3307/4885

“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.