SCHEMBL3403182

SCHEMBL3403182

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(N3CCSCC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.33
TEAD4 Q15561 1/20 0.33
BCL2L2 Q92843 1/20 0.32
DGAT1 O75907 1/20 0.32
PIK3CB P42338 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
GCG P01275 1/20 0.30
GLP1R P43220 1/20 0.30
GCGR P47871 1/20 0.30
GIPR P48546 1/20 0.30

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
SCHEMBL720892 0.94 F11 (0.33) PDE7ATEAD4DGAT1PIK3CBMAPT
SCHEMBL719257 0.92 MAPT (0.35) PDE7APIK3CBMAPTTP53MEN1
SCHEMBL656967 0.92 MAPT (0.40) PDE7APIK3CBMAPTTP53MEN1
SCHEMBL720639 0.86 TEAD4 (0.37) TEAD4MAPTTP53MEN1KMT2A
SCHEMBL659262 0.85 MAPT (0.42) PDE7APIK3CBMAPTTP53MEN1
SCHEMBL721733 0.85 KMT2A (0.35) PDE7ATEAD4MAPTTP53TSHR
SCHEMBL719224 0.85 NPC1 (0.44) TEAD4PIK3CBMAPTTP53MEN1
SCHEMBL3400805 0.85 MAPT (0.37) TEAD4MAPTTP53GCGSLC6A9
SCHEMBL717558 0.84 MAPT (0.37) TEAD4MAPTTP53TSHR
SCHEMBL718724 0.84 NPC1 (0.42) TEAD4PIK3CBMAPTGCG

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-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 PDE7A 2449/4885TEAD4 253/4885BCL2L2 1113/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE7A 2449/4885TEAD4 253/4885BCL2L2 1113/4885

“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.