SCHEMBL3134680

SCHEMBL3134680

CC(C)(C)N(C(=O)O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.56
MAPT P10636 8/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAB9A P51151 3/20 0.54
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PPARG P37231 1/20 0.44
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL3134665 1.00 HSPB1 (0.56) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3511355 0.87 HSPB1 (0.46) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3511358 0.87 HSPB1 (0.46) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL21628068 0.84 HSPB1 (0.60) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL1260304 0.83 HSPB1 (0.60) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL1260299 0.83 HSPB1 (0.60) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL3510827 0.83 HSPB1 (0.52) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL2450640 0.83 HSPB1 (0.53) HSPB1MAPTNPSR1RAB9AGAA
SCHEMBL3510832 0.83 HSPB1 (0.52) HSPB1MAPTNPSR1RAB9AL3MBTL1
SCHEMBL2450636 0.83 HSPB1 (0.53) HSPB1MAPTNPSR1RAB9AGAA

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-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
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (2 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HSPB1 2071/4885MAPT 4866/4885NPSR1 1788/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HSPB1 1573/4885MAPT 4163/4885NPSR1 1136/4885

“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.