SCHEMBL2894032

SCHEMBL2894032

N#Cc1c(NC(=O)C2CC2c2ccco2)sc2c1CCNC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
NPC1 O15118 6/20 0.44
HPGD P15428 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NR0B1 P51843 1/20 0.44
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK10 P53779 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2894559 0.85 ALDH1A1 (0.47) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4960036 0.84 ALDH1A1 (0.43) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4960969 0.83 ALDH1A1 (0.42) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1207815 0.83 ALDH1A1 (0.46) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4960995 0.81 MAPK10 (0.47) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4961167 0.81 ALDH1A1 (0.45) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4963443 0.81 ALDH1A1 (0.44) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4961044 0.81 ALDH1A1 (0.48) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1210107 0.81 ALDH1A1 (0.52) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2895762 0.81 APEX1 (0.43) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 EP disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 ALDH1A1 566/4885NPC1 4582/4885HPGD 2616/4885

“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.