SCHEMBL719072

SCHEMBL719072

CCOC(=O)CCNC(=O)c1ccc(NC(c2sc3cccnc3c2C)C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RCE1 Q9Y256 1/20 0.42
GCG P01275 11/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PDE7A Q13946 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3402636 0.90 GCG (0.48) RCE1GCGSMN1; SMN2
SCHEMBL718103 0.88 MEN1 (0.41) MEN1KMT2ARCE1GCGMAPT
SCHEMBL718203 0.87 GCGR (0.45) MEN1KMT2AGCGMAPTSMN1; SMN2
SCHEMBL719238 0.86 RCE1 (0.41) MEN1KMT2ARCE1MAPTPDE7A
SCHEMBL716869 0.85 MEN1 (0.41) MEN1KMT2AGCGPDE7A
SCHEMBL720081 0.85 MEN1 (0.41) MEN1KMT2AGCGPDE7A
SCHEMBL722172 0.84 RCE1 (0.41) MEN1KMT2ARCE1GCGMAPT
SCHEMBL716868 0.83 MEN1 (0.47) MEN1KMT2ARCE1GCGMAPT
SCHEMBL719154 0.82 GCG (0.43) MEN1KMT2AGCG
SCHEMBL719225 0.82 RCE1 (0.48) MEN1KMT2ARCE1SMN1; SMN2PDE7A

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 MEN1 444/4885KMT2A 1298/4885RCE1 2661/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885RCE1 2661/4885

“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.