SCHEMBL1210084

SCHEMBL1210084

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1209119 0.93 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1207109 0.92 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1209815 0.91 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1207023 0.91 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1209318 0.89 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1208903 0.89 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1207862 0.88 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1208830 0.87 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1208184 0.87 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1209716 0.87 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHPGD

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.