SCHEMBL4161306

SCHEMBL4161306

CCOc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
MAPT P10636 10/20 0.58
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 7/20 0.58
LMNA P02545 7/20 0.58
GAA P10253 7/20 0.58
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
HTT P42858 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HPGD P15428 3/20 0.58
ALOX12 P18054 3/20 0.58
NR2F2 P24468 1/20 0.57
MAPK1 P28482 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
NPC1 O15118 2/20 0.55
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PIM1 P11309 1/20 0.54

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
Bromide SCHEMBL12541653 0.99 SYK (0.63) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684392 0.89 SYK (0.64) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684593 0.87 MAPT (0.73) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684541 0.87 MAPT (0.74) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL1684611 0.84 SYK (0.67) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684431 0.84 PRKD3 (0.74) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684773 0.84 SYK (0.67) SYKMAPTKDM4EALDH1A1LMNA
SCHEMBL1684920 0.84 SYK (0.67) SYKMAPTKDM4EALDH1A1LMNA
Bromide SCHEMBL18040728 0.83 SYK (0.66) SYKMAPTKDM4EALDH1A1LMNA
Bromide SCHEMBL18040673 0.83 SYK (0.66) SYKMAPTKDM4EALDH1A1LMNA

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-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
WO-2008003511-A1 USE OF AMINOTHIAZOLE DERIVATIVE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL REPRESSION OF GENE TRANSCRIPTION, PARTICULARLY HUNTINGTON'S DISEASE DIALECTICA S.R.L. (IT) 2008-01-10 WO 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 SYK 4269/4885MAPT 4520/4885KDM4E 1129/4885

“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.