SCHEMBL2894559

SCHEMBL2894559

N#Cc1c(NC(=O)C2CC2c2ccccc2)sc2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 5/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
APEX1 P27695 1/20 0.42

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
SCHEMBL4961044 0.90 ALDH1A1 (0.48) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL2887971 0.89 LMNA (0.48) ALDH1A1HPGDPOLBLMNARAB9A
SCHEMBL4961190 0.89 SMN1; SMN2 (0.48) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4960071 0.89 TP53 (0.43) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4961200 0.89 ALDH1A1 (0.41) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4964396 0.87 MAPK10 (0.46) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4961167 0.87 ALDH1A1 (0.45) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4963443 0.87 ALDH1A1 (0.44) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4960969 0.87 ALDH1A1 (0.42) ALDH1A1HPGDPOLBLMNANPC1
SCHEMBL4960995 0.87 MAPK10 (0.47) ALDH1A1HPGDPOLBLMNANPC1

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 566/4885HPGD 2616/4885POLB 2624/4885

“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.