SCHEMBL718203

SCHEMBL718203

CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3ccccc3c2C)C2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 5/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GCG P01275 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL720038 0.90 GCGR (0.53) GCGRGCGSMN1; SMN2
SCHEMBL719280 0.89 GCGR (0.42) GCGRMEN1KMT2ATP53GCG
SCHEMBL720571 0.89 GCGR (0.53) GCGRGCGSMN1; SMN2
SCHEMBL720861 0.88 PDE7A (0.40) GCGRMEN1KMT2ATP53MAPT
SCHEMBL716869 0.88 MEN1 (0.41) GCGRMEN1KMT2AGCG
SCHEMBL720081 0.88 MEN1 (0.41) GCGRMEN1KMT2AGCG
SCHEMBL719072 0.87 MEN1 (0.42) MEN1KMT2AMAPTGCGKDM4E
SCHEMBL718103 0.86 MEN1 (0.41) MEN1KMT2AMAPTGCGKDM4E
SCHEMBL719154 0.85 GCG (0.43) GCGRMEN1KMT2AGCG
SCHEMBL718768 0.85 GCG (0.43) GCGRMEN1KMT2AGCG

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 GCGR 90/4885MEN1 444/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885MEN1 444/4885KMT2A 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.