SCHEMBL1209218

SCHEMBL1209218

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCC(OC(=O)NCCc1cccnc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
POLB P06746 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PTPN5 P54829 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NR0B1 P51843 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GCGR P47871 1/20 0.39
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL12882609 1.00 TGFBR1 (0.42) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1209132 0.93 POLB (0.47) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL12882603 0.93 POLB (0.47) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1210886 0.93 TGFBR1 (0.40) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1208355 0.92 TGFBR1 (0.44) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL12882556 0.92 TGFBR1 (0.44) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1207752 0.92 ALDH1A1 (0.39) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1209211 0.91 PTPN5 (0.46) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL12895239 0.91 PTPN5 (0.46) TGFBR1ALDH1A1MAPTPOLBMEN1
SCHEMBL1210590 0.91 NOD1 (0.45) TGFBR1ALDH1A1MAPTPOLBMEN1

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 316/4885MAPT 865/4885

“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.