SCHEMBL4784061

SCHEMBL4784061

O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.63
APP P05067 1/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MAPT P10636 7/20 0.56
KMT2A Q03164 4/20 0.56
ILK Q13418 2/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EGFR P00533 2/20 0.48
IGF1R P08069 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
SCHEMBL8405261 0.92 APP (0.60) MMP13APPMMP2MMP9MMP8
SCHEMBL2243418 0.90 MMP13 (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL1982194 0.85 APP (0.64) MMP13APPMMP2MMP9MMP8
SCHEMBL2248504 0.84 APP (0.52) MMP13APPMMP2MMP9MMP8
SCHEMBL12422162 0.84 MMP13 (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL8535715 0.84 APP (0.55) MMP13APPMMP2MMP9MMP8
SCHEMBL8532333 0.83 APP (0.64) MMP13APPMMP2MMP9MMP8
SCHEMBL30844008 0.82 EGFR (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL2248521 0.82 EGFR (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL11011564 0.81 MMP13 (0.59) MMP13APPMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721336-B1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RES CAMPAIGN TECH (GB) 1999-07-14 EP claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0721336-B1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RES CAMPAIGN TECH (GB) 1999-07-14 EP disclosed
US-5874431-A ANTITUMOR AGENTS; BREAST CANCER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-02-23 US disclosed
EP-0721336-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-07-17 EP disclosed
WO-1995006469-A1 BENZAZOLE COMPOUNDS FOR USE IN THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-03-09 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 (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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MMP13 1063/4885APP 24/4885MMP2 2405/4885

“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.