SCHEMBL3138641

SCHEMBL3138641

Cc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
BLM P54132 1/20 0.81
HPGD P15428 8/20 0.73
ALDH1A1 P00352 3/20 0.73
GAA P10253 3/20 0.73
LMNA P02545 2/20 0.73
MCL1 Q07820 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
GFER P55789 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ESRRA P11474 4/20 0.53
IGF1R P08069 1/20 0.53
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48

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
SCHEMBL3138638 1.00 MAPT (0.81) MAPTBLMHPGDALDH1A1GAA
SCHEMBL3147350 0.80 HSPB1 (0.55) MAPTBLMHPGDALDH1A1GAA
SCHEMBL8917573 0.78 HSPB1 (0.53) MAPTBLMHPGDALDH1A1GAA
SCHEMBL17183508 0.77 MAPT (0.84) MAPTBLMHPGDALDH1A1GAA
SCHEMBL2184426 0.77 MAPT (0.84) MAPTBLMHPGDALDH1A1GAA
SCHEMBL2184424 0.77 MAPT (0.84) MAPTBLMHPGDALDH1A1GAA
SCHEMBL13581793 0.75 MAPT (0.51) MAPTBLMHPGDALDH1A1LMNA
SCHEMBL13581790 0.75 MAPT (0.51) MAPTBLMHPGDALDH1A1LMNA
SCHEMBL13581792 0.75 MAPT (0.51) MAPTBLMHPGDALDH1A1LMNA
SCHEMBL1249114 0.74 TDP1 (0.75) MAPTHPGDALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAPT 4315/4885BLM 3321/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPT 4866/4885BLM 3963/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPT 4163/4885BLM 1795/4885HPGD 1282/4885

“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.