SCHEMBL12895265

SCHEMBL12895265

Cc1nn(C)cc1CNC(=O)OCC1CCc2c(sc(NC(=O)CC(C)c3ccccc3)c2N)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.33
TNIK Q9UKE5 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL12895478 0.92 THRB (0.34) KMT2AMEN1LMNAHTTRAB9A
SCHEMBL12895480 0.91 RORC (0.33) KMT2ATSHRLMNARORCTNIK
SCHEMBL1208697 0.91 ALDH1A1 (0.43) KMT2AMEN1LMNAHTTRAB9A
SCHEMBL12895260 0.89 MEN1 (0.35) KMT2AMEN1TSHRLMNAHTT
SCHEMBL12895689 0.88 MEN1 (0.36) KMT2AMEN1TSHRTNIKRAB9A
SCHEMBL14293242 0.87 MEN1 (0.36) KMT2AMEN1TSHRRORCTNIK
SCHEMBL12895690 0.86 RORC (0.34) KMT2AMEN1TSHRLMNARORC
SCHEMBL12895693 0.85 RORC (0.39) KMT2AMEN1TSHRRORCTNIK
SCHEMBL12895474 0.85 RORC (0.35) KMT2AMEN1TSHRLMNARORC
SCHEMBL12895262 0.84 L3MBTL1 (0.36) KMT2AMEN1TSHRTNIKHTT

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 KMT2A 2064/4885MEN1 4667/4885TSHR 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.