SCHEMBL720711

SCHEMBL720711

Cc1c(C(COc2ccccc2)Nc2ccc(C(=O)O)cc2)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
LMNA P02545 5/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.40
PTPN1 P18031 1/20 0.40
NPY1R P25929 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL719499 0.92 MAPT (0.45) CA12CA1CA2CA9LMNA
SCHEMBL719021 0.86 GCG (0.43) LMNAHPGDKDM4EL3MBTL1MAPT
SCHEMBL721127 0.86 RAB9A (0.39) CA12CA1CA2CA9LMNA
SCHEMBL2669949 0.86 ADRB2 (0.44) LMNAGAAHPGDKDM4EL3MBTL1
SCHEMBL717732 0.84 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL718011 0.84 MAPT (0.42) LMNAHPGDKDM4EL3MBTL1NPSR1
SCHEMBL719600 0.82 MAPT (0.38) CA12CA1CA2CA9LMNA
SCHEMBL716401 0.81 GCG (0.37) CA12CA1CA2CA9LMNA
SCHEMBL718863 0.75 TNKS (0.43) CA12CA1CA2CA9GAA
SCHEMBL3407767 0.75 LMNA (0.45) CA12CA2CA9LMNAGAA

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CA12 1685/4885CA1 2571/4885CA2 1595/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CA12 1685/4885CA1 2571/4885CA2 1595/4885

“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.