SCHEMBL1208830

SCHEMBL1208830

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)NCc2ccnn2C)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GRM1 Q13255 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 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
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1207868 0.91 ALDH1A1 (0.46) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1208225 0.90 ALDH1A1 (0.46) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1207172 0.89 ALDH1A1 (0.46) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1208794 0.89 ALDH1A1 (0.47) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1209719 0.88 ALDH1A1 (0.46) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1207338 0.88 ALDH1A1 (0.47) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1209595 0.87 ALDH1A1 (0.48) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1210084 0.87 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1207091 0.87 ALDH1A1 (0.46) ALDH1A1GRM1MAPTMEN1KMT2A
SCHEMBL1207895 0.87 ALDH1A1 (0.53) ALDH1A1GRM1MAPTMEN1KMT2A

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 316/4885GRM1 3197/4885MAPT 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.