SCHEMBL720892

SCHEMBL720892

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.33
MAPT P10636 4/20 0.33
TP53 P04637 3/20 0.33
KMT2A Q03164 2/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 2/20 0.31
RIN1 Q13671 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE7A Q13946 1/20 0.31
TEAD4 Q15561 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PIK3CB P42338 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
SCHEMBL3403182 0.94 PDE7A (0.33) MAPTTP53KMT2ADGAT1MEN1
SCHEMBL719257 0.87 MAPT (0.35) MAPTTP53KMT2AMEN1TSHR
SCHEMBL656967 0.86 MAPT (0.40) MAPTTP53KMT2AMEN1TSHR
SCHEMBL717983 0.81 NPC1 (0.39) MAPTTP53KMT2AMEN1TSHR
SCHEMBL720639 0.81 TEAD4 (0.37) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL719158 0.81 NPC1 (0.38) MAPTTP53KMT2AMEN1TSHR
SCHEMBL716541 0.81 RAB9A (0.42) MAPTTSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL717478 0.81 MAPT (0.35) F11MAPTTP53KMT2AMEN1
SCHEMBL659262 0.80 MAPT (0.42) MAPTTP53KMT2AMEN1TSHR
SCHEMBL721733 0.80 KMT2A (0.35) MAPTTP53KMT2ATSHRALDH1A1

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 F11 2797/4885MAPT 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.