SCHEMBL720318

SCHEMBL720318

CCC(CC)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1sc2ccccc2c1C.CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ccccc3c2C)C(CC)CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
MAPT P10636 3/20 0.35
TP53 P04637 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GCG P01275 1/20 0.34
MCHR1 Q99705 1/20 0.34
HDAC6 Q9UBN7 4/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PRSS12 P56730 1/20 0.32
NOD2 Q9HC29 1/20 0.32
TOP2A P11388 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL719433 0.97 MAPT (0.36) GCGRMAPTTP53RXFP1MCHR1
SCHEMBL720766 0.94 GCGR (0.41) GCGRMAPTTP53RXFP1GCG
SCHEMBL720850 0.84 GCGR (0.36) GCGRMAPTTP53RXFP1GCG
SCHEMBL717968 0.82 GCGR (0.47) GCGRMAPTTP53RXFP1L3MBTL1
SCHEMBL717719 0.81 TP53 (0.36) GCGRMAPTTP53RXFP1MCHR1
SCHEMBL718282 0.80 GCGR (0.40) GCGRMAPTTP53RXFP1LMNA
SCHEMBL718054 0.79 GCGR (0.58) GCGRGCGLMNA
SCHEMBL718977 0.78 MAPT (0.43) GCGRMAPTTP53RXFP1LMNA
SCHEMBL718138 0.78 GCGR (0.39) GCGRGCGMCHR1HDAC6
SCHEMBL718454 0.76 GCGR (0.38) GCGRGCGHDAC6

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 GCGR 90/4885MAPT 4533/4885TP53 293/4885

“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.