SCHEMBL718698

SCHEMBL718698

CCC1=N[N+](C)(c2cccc(OC)c2)C=C1C(=O)O.CCc1nn(-c2cccc(OC)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
UBE2N P61088 1/20 0.32
SLC6A9 P48067 1/20 0.31
TP53 P04637 1/20 0.31
GCG P01275 1/20 0.31
NTSR1 P30989 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
GCGR P47871 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
SCHEMBL719036 0.96 GCG (0.32) GCG
SCHEMBL3399863 0.88 KMT2A (0.38) KMT2AUBE2NSLC6A9TP53GCG
SCHEMBL718170 0.88 GCG (0.33) KMT2AUBE2NSLC6A9TP53GCG
SCHEMBL722931 0.86 NTSR1 (0.33) KMT2ASLC6A9GCGNTSR1MEN1
SCHEMBL721158 0.84 GCG (0.39) KMT2AGCGMEN1ALDH1A1MAPK1
SCHEMBL10242831 0.83 MEN1 (0.38) KMT2ASLC6A9TP53GCGNTSR1
SCHEMBL719341 0.83 SLC6A9 (0.41) KMT2ASLC6A9GCGMEN1GCGR
SCHEMBL720989 0.82 MAPT (0.37) KMT2AUBE2NSLC6A9TP53NTSR1
SCHEMBL720865 0.82 GCG (0.32) GCGGCGR
SCHEMBL720529 0.81 GCG (0.35) SLC6A9GCGNTSR1

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 KMT2A 1298/4885UBE2N 3813/4885SLC6A9 1426/4885

“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.