SCHEMBL2894804

SCHEMBL2894804

COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 4/20 0.48
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 4/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.39
MAPK10 P53779 1/20 0.39
APEX1 P27695 1/20 0.39
TGFBR1 P36897 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 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
SCHEMBL4766038 0.92 POLB (0.48) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4766464 0.92 POLB (0.48) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4767800 0.92 POLB (0.47) NPC1MEN1KMT2APOLBMAPT
SCHEMBL2895460 0.91 NPC1 (0.41) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4776053 0.89 ALDH1A1 (0.44) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4777493 0.89 NPC1 (0.40) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4775132 0.89 NPC1 (0.41) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL4771021 0.89 TGFBR1 (0.48) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4775000 0.89 ALDH1A1 (0.45) NPC1MEN1KMT2APOLBMAPT
SCHEMBL4963443 0.88 ALDH1A1 (0.44) NPC1MEN1KMT2APOLBMAPT

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-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO disclosed
WO-2006125815-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 NPC1 4582/4885MEN1 4556/4885KMT2A 2606/4885

“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.