SCHEMBL14733276

SCHEMBL14733276

N#[N+]c1ccc(O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.50
ALOX12 P18054 2/20 0.37
ESR1 P03372 2/20 0.34
DBH P09172 1/20 0.33
PRMT1 Q99873 1/20 0.33
EP300 Q09472 1/20 0.33
AMY1A P0DUB6 1/20 0.33
CISD1 Q9NZ45 2/20 0.32
CYP19A1 P11511 1/20 0.32
PTP4A3 O75365 1/20 0.31
PTP4A1 Q93096 1/20 0.31
SNCA P37840 1/20 0.31
HSD17B3 P37058 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
CES2 O00748 1/20 0.30
GALR3 O60755 1/20 0.30
CYP1A2 P05177 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
SCHEMBL694185 0.92 ALOX15 (0.43) ALOX15ALOX12ESR1DBHPRMT1
SCHEMBL14609269 0.78 APP (0.43) ALOX15SNCAHPGD
SCHEMBL3438830 0.77 ALOX15 (0.50) ALOX15ALOX12ESR1DBHPRMT1
SCHEMBL8501838 0.73 ALDH1A1 (0.37) HPGD
SCHEMBL16201860 0.73 TP53 (0.50) ALOX15ALOX12ESR1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL8501661 0.71 ALDH1A1 (0.36) HPGD
Hydrochloric Acid SCHEMBL7253226 0.71 HSD17B10 (0.48) ALOX15ALOX12ESR1DBHCYP1A2
SCHEMBL8331730 0.68 HSD17B1 (0.40) ALOX15ESR1CYP19A1CSNK2A2CSNK2B
SCHEMBL15357893 0.68 GABRA1 (0.33)
SCHEMBL1550019 0.68 KDM1A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 US disclosed
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 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 (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-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 ALOX15 3884/4885ALOX12 3220/4885ESR1 2870/4885

“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.