SCHEMBL718170

SCHEMBL718170

COc1cccc(-n2cc(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)c(C)n2)c1.COc1cccc([N+]2(C)C=C(C(=O)O)C(C)=N2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 2/20 0.33
NTSR1 P30989 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A9 P48067 1/20 0.31
TP53 P04637 1/20 0.31
UBE2N P61088 1/20 0.30
RCE1 Q9Y256 1/20 0.30
MAPT P10636 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL720529 0.94 GCG (0.35) GCGNTSR1SLC6A9RCE1
SCHEMBL718417 0.92 GCG (0.36) GCGKMT2AMEN1RCE1
SCHEMBL720391 0.89 GCG (0.40) GCGNTSR1KMT2AMEN1ALDH1A1
SCHEMBL718698 0.88 KMT2A (0.32) GCGNTSR1KMT2AMEN1ALDH1A1
SCHEMBL722931 0.88 NTSR1 (0.33) GCGNTSR1KMT2AMEN1ALDH1A1
SCHEMBL719036 0.83 GCG (0.32) GCGRCE1
SCHEMBL718463 0.83 GCG (0.34) GCGNTSR1RCE1
SCHEMBL720562 0.83 GCG (0.41) GCGNTSR1SLC6A9TP53RCE1
SCHEMBL717775 0.82 MAPT (0.39) GCGNTSR1KMT2AMEN1ALDH1A1
SCHEMBL717855 0.82 SLC6A9 (0.42) GCGKMT2AMEN1SLC6A9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885NTSR1 1241/4885KMT2A 1298/4885

“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.