SCHEMBL720766

SCHEMBL720766

CCC(CC)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1sc2ccccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.41
GCG P01275 1/20 0.37
HDAC6 Q9UBN7 7/20 0.37
MCHR1 Q99705 1/20 0.35
CYP1A2 P05177 1/20 0.34
NAMPT P43490 3/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 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
SCHEMBL720318 0.94 GCGR (0.38) GCGRGCGHDAC6MCHR1TP53
SCHEMBL719433 0.91 MAPT (0.36) GCGRHDAC6MCHR1NAMPTTP53
SCHEMBL718282 0.85 GCGR (0.40) GCGRTP53MAPTRXFP1MEN1
SCHEMBL718054 0.84 GCGR (0.58) GCGRGCG
SCHEMBL718138 0.83 GCGR (0.39) GCGRGCGHDAC6MCHR1CYP1A2
SCHEMBL718977 0.81 MAPT (0.43) GCGRTP53MAPTRXFP1MEN1
SCHEMBL718454 0.81 GCGR (0.38) GCGRGCGHDAC6CYP1A2NAMPT
SCHEMBL719013 0.80 GCGR (0.37) GCGRGCGHDAC6NAMPT
SCHEMBL720850 0.77 GCGR (0.36) GCGRGCGHDAC6MCHR1NAMPT
SCHEMBL717968 0.76 GCGR (0.47) GCGRTP53MAPTRXFP1MEN1

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 10 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 90/4885GCG 35/4885HDAC6 274/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GCG 35/4885HDAC6 274/4885

“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.