SCHEMBL7233139

SCHEMBL7233139

CO/C=C/c1ccc(OC)cc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.55
MAPK1 P28482 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 7/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.47
TLR9 Q9NR96 1/20 0.47
PAX8 Q06710 1/20 0.47
SCD O00767 1/20 0.47
SNCA P37840 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL7233144 1.00 HTT (0.55) HTTMAPK1NPSR1GAATDP1
SCHEMBL7226899 0.86 MAPK1 (0.58) HTTMAPK1NPSR1GAATDP1
SCHEMBL7227544 0.83 KMT2A (0.55) HTTMAPK1NPSR1TDP1L3MBTL1
SCHEMBL7227539 0.83 KMT2A (0.55) HTTMAPK1NPSR1TDP1L3MBTL1
SCHEMBL7236077 0.82 ALDH1A1 (0.57) HTTMAPK1NPSR1GAAL3MBTL1
SCHEMBL7236071 0.82 ALDH1A1 (0.57) HTTMAPK1NPSR1GAAL3MBTL1
SCHEMBL7344334 0.79 MAPK1 (0.64) HTTMAPK1NPSR1GAATDP1
SCHEMBL7344338 0.76 MAPK1 (0.55) HTTMAPK1NPSR1GAATDP1
SCHEMBL11264402 0.76 MAPK1 (0.85) HTTMAPK1NPSR1GAATDP1
SCHEMBL4689851 0.76 MAPK1 (0.67) HTTMAPK1NPSR1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600036-B2 Treating diseases of the central nervous system. SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020052364-A1 Condensed 2,3-benzodiazepine derivatives and their use as AMPA-receptor inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
EP-0888356-B1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AG (DE) 2002-03-20 EP disclosed
US-6323197-B1 NON-COMPETITIVE INHIBITING OF THE AMPA RECEPTORS, THESE COMPOUNDS CAN BE USED AS MEDICAMENTS FOR TREATMENT OF THE CENTRAL NERVOUS SYSTEM SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
EP-0888356-A1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997028163-A1 CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS AMPA-RECEPTOR INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-08-07 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-20020052364-A1 Condensed 2,3-benzodiazepine derivatives and their use as AMPA-receptor inhibitors GABRE, GABRA2, GABRB2 HTT 3279/4885MAPK1 2769/4885NPSR1 94/4885

“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.