SCHEMBL13166371

SCHEMBL13166371

N#CCc1c(NC(=O)/C=C/c2ccco2)sc2c1CCN(C(=O)OCc1ccccn1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
MAPT P10636 8/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 5/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
NR0B1 P51843 1/20 0.45
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
EIF4H Q15056 1/20 0.41
RECQL P46063 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL13166373 0.93 KMT2A (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13185005 0.93 MAPT (0.44) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3352866 0.90 KMT2A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13336332 0.90 KMT2A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13166374 0.89 ALDH1A1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13166372 0.87 ALDH1A1 (0.44) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13185056 0.86 MAPT (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13166370 0.85 ALDH1A1 (0.47) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL13336336 0.83 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3353196 0.83 KMT2A (0.56) KMT2AMEN1MAPTNPC1RAB9A

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 KMT2A 2220/4885MEN1 4646/4885MAPT 1150/4885

“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.