SCHEMBL1209121

SCHEMBL1209121

COc1cccc(C(C)CC(=O)Nc2sc3c(c2C#N)CCC(COC(=O)NCc2ccccn2)C3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL1208714 0.92 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1207879 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1208820 0.89 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1207775 0.89 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1209103 0.89 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1208400 0.89 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1207023 0.88 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1209147 0.87 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1209698 0.87 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1207354 0.87 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
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 ALDH1A1 316/4885MAPT 865/4885MEN1 4667/4885

“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.