SCHEMBL1208327

SCHEMBL1208327

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCC(OC(=O)N1CCCO1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
ALDH1A1 P00352 7/20 0.42
POLB P06746 6/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
NR0B1 P51843 1/20 0.42
GAA P10253 2/20 0.41
PTPN5 P54829 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 4/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL12895352 1.00 TGFBR1 (0.43) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL1208851 0.98 TGFBR1 (0.43) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL12895243 0.98 TGFBR1 (0.43) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL14293326 0.89 MAPT (0.38) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL12882712 0.89 TGFBR1 (0.46) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL1207078 0.89 TGFBR1 (0.46) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL1208425 0.89 TGFBR1 (0.46) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL12895446 0.89 TGFBR1 (0.46) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL12895351 0.89 PTPN5 (0.45) TGFBR1ALDH1A1POLBMAPTKMT2A
SCHEMBL1209420 0.89 PTPN5 (0.45) TGFBR1ALDH1A1POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD TGFBR1 1167/4885ALDH1A1 316/4885POLB 1250/4885

“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.