SCHEMBL1219781

SCHEMBL1219781

Cn1cncc1CNC(=O)OC1CCc2c(sc(NC(=O)CCc3cccnc3)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 6/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
OPRK1 P41145 1/20 0.38
ESR2 Q92731 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1207172 0.90 ALDH1A1 (0.46) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL1208847 0.86 MAPT (0.42) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL12882614 0.85 PTPN5 (0.40) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL1209094 0.85 PTPN5 (0.40) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL1209596 0.84 MAPT (0.43) POLBALDH1A1LMNAMAPTGAA
SCHEMBL1207881 0.84 MAPT (0.47) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL1209595 0.84 ALDH1A1 (0.48) POLBALDH1A1MAPTGAAL3MBTL1
SCHEMBL1207132 0.82 ALDH1A1 (0.47) POLBALDH1A1LMNAMAPTGAA
SCHEMBL1209495 0.82 NOD1 (0.47) POLBUSP2ALDH1A1LMNAMAPT
SCHEMBL1209231 0.81 MAPT (0.43) POLBALDH1A1LMNAMAPTGAA

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD POLB 1250/4885USP2 2483/4885ALDH1A1 316/4885

“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.