SCHEMBL4160940

SCHEMBL4160940

CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(OC)cc3)n2)s1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
MAPT P10636 7/20 0.78
GAA P10253 5/20 0.78
LMNA P02545 3/20 0.78
HPGD P15428 2/20 0.78
MEN1 O00255 9/20 0.76
KMT2A Q03164 9/20 0.76
CLEC4M Q9H2X3 1/20 0.75
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
ALOX12 P18054 1/20 0.66
ATM Q13315 1/20 0.66
NPC1 O15118 2/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
HTT P42858 2/20 0.64
KDM4E B2RXH2 2/20 0.64

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
SCHEMBL4158182 0.91 MEN1 (0.75) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL4533727 0.89 GAA (0.98) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL13186470 0.89 MEN1 (0.81) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL23270921 0.87 MEN1 (1.00) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL17930230 0.86 CLEC4M (1.00) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL19652440 0.85 MEN1 (0.86) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL3608656 0.84 MAPT (0.76) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL14053838 0.82 MAPT (0.86) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL4529453 0.82 ALDH1A1 (0.78) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL16434540 0.80 MEN1 (0.97) ALDH1A1MAPTGAALMNAHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US claimed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP claimed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP claimed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 WO claimed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
US-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-20 US disclosed
EP-1804803-A4 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-07-30 EP disclosed
EP-1804803-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM, LLC (BM) 2007-07-11 EP disclosed
WO-2006050351-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2006-05-11 WO 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-20090209573-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO ALDH1A1 2214/4885MAPT 4520/4885GAA 2406/4885

“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.