SCHEMBL9933506

SCHEMBL9933506

O=C1CSC(c2[c]cccc2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
SLC8B1 Q6J4K2 1/20 0.37
CA2 P00918 1/20 0.33
CRBN Q96SW2 6/20 0.33
DDB1 Q16531 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 3/20 0.31
USP2 O75604 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL15415215 0.76 MAPT (0.33) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL22623628 0.75 CA2 (0.55) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL22440095 0.69 CRBN (0.54) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL24783417 0.65 DDB1 (0.60) TSHRCRBNDDB1
SCHEMBL28729814 0.65 MAPT (0.45) MAPTTP53CYP1A2RECQLNPSR1
SCHEMBL24783329 0.65 CYP1A2 (0.42) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL1521564 0.64 MAPT (0.33) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL24524 0.63
SCHEMBL22440087 0.63 KDM4E (0.40) MAPTTP53CYP1A2CYP2C9CYP2C19
SCHEMBL11795657 0.63 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO 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-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A MAPT 4424/4885TP53 4559/4885CYP1A2 67/4885

“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.