SCHEMBL12895481

SCHEMBL12895481

Cc1nn(C)cc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccn3)c2N)C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12895260 0.90 MEN1 (0.35) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL1209503 0.90 MAPT (0.40) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL12895480 0.90 RORC (0.33) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL12895267 0.88 TP53 (0.31) HTTSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL12895272 0.86 L3MBTL1 (0.34) HTTSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL12895369 0.83 SLC8A1 (0.34) HTTSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL14293348 0.81 LMNA (0.38) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL1209183 0.81 ALDH1A1 (0.42) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL1209248 0.81 MAPT (0.41) HTTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL14292980 0.81 MAPT (0.35) HTTLMNARAB9ANPC1TSHR

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 HTT 798/4885SMN1; SMN2 2135/4885LMNA 3666/4885

“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.