SCHEMBL2395074

SCHEMBL2395074

O=C(O)c1cccc(C(=O)O)c1-n1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.49
GAA P10253 7/20 0.47
MGAM O43451 6/20 0.47
AMY1A P0DUB6 6/20 0.47
SI P14410 6/20 0.47
MGAM2 Q2M2H8 6/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
F2 P00734 1/20 0.47
SLC9A1 P19634 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 4/20 0.45
APAF1 O14727 2/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL19092972 0.84 KCNMA1 (0.61) KCNMA1GAAMGAMAMY1ASI
SCHEMBL12204268 0.79 KCNMA1 (0.51) KCNMA1GAAMGAMAMY1ASI
SCHEMBL5964502 0.76 POLB (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL9564757 0.75 KMT2A (0.36) KCNMA1GAAMGAMAMY1ASI
SCHEMBL12321787 0.74 KMT2A (0.56) KCNMA1GAAMGAMAMY1ASI
SCHEMBL18239427 0.74 MGAM (0.44) KCNMA1GAAMGAMAMY1ASI
SCHEMBL16882633 0.74 ALDH1A1 (0.51) KCNMA1GAAMGAMAMY1ASI
SCHEMBL13618757 0.74 KDM4E (0.47) KCNMA1GAAMGAMAMY1ASI
SCHEMBL5964501 0.73 KMT2A (0.49) KCNMA1GAAMGAMAMY1ASI
SCHEMBL13722960 0.73 KCNMA1 (0.44) KCNMA1GAAMGAMAMY1ASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 KCNMA1 1408/4885GAA 1423/4885MGAM 1964/4885

“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.