SCHEMBL5857653

SCHEMBL5857653

CC(C)c1ccc(C#N)c(S)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
KDM5A P29375 6/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5D Q9BY66 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 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
SCHEMBL6926428 0.80 L3MBTL1 (0.51) TRPV4L3MBTL1POLBALDH1A1MAPK1
SCHEMBL12775196 0.78 KDM5A (0.36) L3MBTL1POLBKDM5AALDH1A1MAPK1
SCHEMBL810776 0.77 KDM4E (0.41) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL531211 0.77 MAPK1 (0.33) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL810127 0.77 L3MBTL1 (0.33) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL4760466 0.77 ALDH1A1 (0.45) TRPV4L3MBTL1POLBALDH1A1MAPK1
SCHEMBL30283054 0.77 ALDH1A1 (0.45) TRPV4L3MBTL1POLBALDH1A1MAPK1
SCHEMBL16206568 0.74 ALDH1A1 (0.38) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL20892175 0.74 AR (0.37) L3MBTL1POLBALDH1A1MAPK1MAPT
SCHEMBL14330454 0.74 L3MBTL1 (0.43) L3MBTL1POLBALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 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 (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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 TRPV4 1854/4885L3MBTL1 1711/4885POLB 1414/4885

“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.