SCHEMBL13166374

SCHEMBL13166374

N#CCc1c(NC(=O)/C=C/c2ccco2)sc2c1CCN(C(=O)OCc1ccncc1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 5/20 0.46
POLB P06746 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
NR0B1 P51843 1/20 0.46
GAA P10253 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
EIF4H Q15056 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
RECQL P46063 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL13166372 0.92 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3356343 0.90 MEN1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13336338 0.90 MEN1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13166371 0.89 KMT2A (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13166370 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13184987 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13166373 0.85 KMT2A (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13166368 0.83 MAPT (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13336334 0.82 MEN1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3352041 0.82 MEN1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 ALDH1A1 686/4885SMN1; SMN2 3183/4885NPC1 4710/4885

“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.