SCHEMBL3403776

SCHEMBL3403776

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
GCG P01275 8/20 0.36
NAMPT P43490 3/20 0.35
HDAC6 Q9UBN7 3/20 0.33
HPGD P15428 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE7A Q13946 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL722172 0.94 RCE1 (0.41) RCE1GCGNAMPTHDAC6MEN1
SCHEMBL719238 0.91 RCE1 (0.41) RCE1NAMPTHDAC6PDE7AMEN1
SCHEMBL10284811 0.90 RCE1 (0.42) RCE1NAMPTHDAC6HPGDPDE7A
SCHEMBL716440 0.88 RCE1 (0.41) RCE1GCGNAMPTHDAC6HPGD
SCHEMBL719013 0.87 GCGR (0.37) RCE1GCGNAMPTHDAC6PDE7A
SCHEMBL718454 0.86 GCGR (0.38) RCE1GCGNAMPTHDAC6
SCHEMBL719453 0.86 RCE1 (0.60) RCE1HPGDPDE7A
SCHEMBL3402636 0.86 GCG (0.48) RCE1GCG
SCHEMBL716694 0.84 NAMPT (0.35) RCE1GCGNAMPTHPGDPDE7A
SCHEMBL3399873 0.84 NAMPT (0.35) RCE1GCGNAMPTHPGDPDE7A

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 8 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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 RCE1 2661/4885GCG 35/4885NAMPT 69/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885GCG 35/4885NAMPT 69/4885

“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.