SCHEMBL2386306

SCHEMBL2386306

O=C(O)CCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.69
TBXAS1 P24557 7/20 0.68
MKNK1 Q9BUB5 3/20 0.60
MKNK2 Q9HBH9 3/20 0.60
HDAC1 Q13547 1/20 0.56
CYP2A6 P11509 1/20 0.56
FFAR4 Q5NUL3 1/20 0.54
MMP12 P39900 1/20 0.53
KEAP1 Q14145 1/20 0.52

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
SCHEMBL2385420 0.83 LMNA (0.67) FFAR1MKNK1MKNK2CYP2A6
SCHEMBL31338446 0.83 LMNA (0.67) FFAR1MKNK1MKNK2CYP2A6
SCHEMBL1211561 0.82 FFAR1 (1.00) FFAR1FFAR4MMP12KEAP1
SCHEMBL8618654 0.82 FFAR1 (1.00) FFAR1FFAR4MMP12KEAP1
SCHEMBL12646562 0.82 HDAC1 (0.60) TBXAS1MKNK1MKNK2HDAC1CYP2A6
SCHEMBL12251221 0.82 MKNK1 (0.58) TBXAS1MKNK1MKNK2CYP2A6MMP12
SCHEMBL6027 0.81 MKNK1 (0.58) TBXAS1MKNK1MKNK2CYP2A6
SCHEMBL29403620 0.81 TBXAS1 (0.78) FFAR1TBXAS1KEAP1
SCHEMBL333061 0.81 TBXAS1 (0.78) FFAR1TBXAS1KEAP1
SCHEMBL12646445 0.81 FFAR1 (0.69) FFAR1TBXAS1FFAR4MMP12KEAP1

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-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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 (2 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 FFAR1 4348/4885TBXAS1 1880/4885MKNK1 3349/4885
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 FFAR1 6/4885TBXAS1 738/4885MKNK1 598/4885

“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.