SCHEMBL720098

SCHEMBL720098

CC[N+]1(c2cccc(OC)c2)C=C(C)C(C(=O)O)=N1.COc1cccc(-n2cc(C)c(C(Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)C3CCCCC3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 4/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
GCGR P47871 1/20 0.32
NTSR1 P30989 1/20 0.31
CTSS P25774 1/20 0.31
SLC6A9 P48067 1/20 0.31
EPHX2 P34913 1/20 0.30
UBE2N P61088 1/20 0.30
MAPT P10636 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
SCHEMBL717967 0.92 SLC6A9 (0.35) GCGKMT2AMEN1GCGRSLC6A9
SCHEMBL716518 0.88 ALDH1A1 (0.40) GCGKMT2AMEN1ALDH1A1MAPK1
SCHEMBL718677 0.83 GCG (0.34) GCGNTSR1
SCHEMBL718007 0.83 MAPT (0.38) KMT2AMEN1ALDH1A1MAPK1CTSS
SCHEMBL2669797 0.81 SLC6A9 (0.42) GCGKMT2AMEN1GCGRSLC6A9
SCHEMBL3403967 0.80 MEN1 (0.39) GCGKMT2AMEN1ALDH1A1MAPK1
SCHEMBL722931 0.79 NTSR1 (0.33) GCGKMT2AMEN1ALDH1A1MAPK1
SCHEMBL720391 0.79 GCG (0.40) GCGKMT2AMEN1ALDH1A1MAPK1
SCHEMBL718170 0.78 GCG (0.33) GCGKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3399863 0.78 KMT2A (0.38) GCGKMT2AMEN1ALDH1A1MAPK1

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 35/4885KMT2A 1298/4885MEN1 444/4885

“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.