SCHEMBL2887971

SCHEMBL2887971

N#Cc1c(NC(=O)C2CC2c2cccnc2)sc2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
NAMPT P43490 9/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4961044 0.89 ALDH1A1 (0.48) LMNAMAPTGAANAMPTPOLB
SCHEMBL2894559 0.89 ALDH1A1 (0.47) LMNAMAPTGAAPOLBALDH1A1
SCHEMBL1208434 0.84 MAPT (0.48) LMNAMAPTGAANAMPTCYP3A4
SCHEMBL4960071 0.84 TP53 (0.43) LMNAMAPTGAACYP3A4CYP2C9
SCHEMBL4961190 0.84 SMN1; SMN2 (0.48) LMNAMAPTGAAPOLBALDH1A1
SCHEMBL4961200 0.84 ALDH1A1 (0.41) LMNAMAPTGAAPOLBALDH1A1
SCHEMBL2895762 0.83 APEX1 (0.43) LMNAMAPTGAACYP3A4CYP2C9
SCHEMBL4964396 0.83 MAPK10 (0.46) LMNAMAPTGAAPOLBALDH1A1
SCHEMBL4960969 0.82 ALDH1A1 (0.42) LMNAMAPTGAAPOLBALDH1A1
SCHEMBL1207838 0.82 ALDH1A1 (0.51) LMNAMAPTGAANAMPTCYP3A4

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 8 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-1797094-A4 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2009-06-03 EP 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
EP-1797094-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS Merck & Co. Inc. (US) 2007-06-20 EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006017409-A2 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2006-02-16 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 LMNA 3689/4885MAPT 1389/4885GAA 4376/4885

“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.