SCHEMBL12895689

SCHEMBL12895689

Cc1n[nH]cc1CNC(=O)OCC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2N)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH2 P25021 3/20 0.32
HPGD P15428 2/20 0.32
THRB P10828 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12895485 0.91 THRB (0.35) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL1208579 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL14293242 0.88 MEN1 (0.36) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895265 0.88 KMT2A (0.36) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895520 0.85 NPC1 (0.38) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895367 0.85 ALDH1A1 (0.38) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895686 0.84 L3MBTL1 (0.50) KMT2AALDH1A1MAPTTP53POLB
SCHEMBL12895285 0.84 HPGD (0.36) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895690 0.83 RORC (0.34) MEN1KMT2ATSHRTNIKALDH1A1
SCHEMBL12895474 0.83 RORC (0.35) MEN1KMT2ATSHRTNIKALDH1A1

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 MEN1 4667/4885KMT2A 2064/4885TSHR 1203/4885

“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.