SCHEMBL6710550

SCHEMBL6710550

O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1noc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.44
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
GRIK1 P39086 1/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
AMY1A P0DUB6 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL6709887 0.90 GRIK1 (0.43) HIF1ALMNAGRIK1MEN1KMT2A
SCHEMBL6708868 0.89 HIF1A (0.44) HIF1ALMNACYP1A2GRIK1MEN1
SCHEMBL6707767 0.87 HIF1A (0.42) HIF1ALMNACYP1A2MEN1KMT2A
SCHEMBL6713674 0.86 LMNA (0.37) HIF1ALMNACYP1A2GRIK1MMP2
SCHEMBL6709000 0.85 GRIK1 (0.40) HIF1ALMNAGRIK1MEN1KMT2A
SCHEMBL6707699 0.85 HIF1A (0.43) HIF1ALMNACYP1A2GAAMEN1
SCHEMBL6709940 0.84 HIF1A (0.51) HIF1AGRIK1
SCHEMBL6708659 0.83 GRIK1 (0.51) HIF1ALMNAGRIK1MEN1KMT2A
SCHEMBL6711725 0.83 HIF1A (0.45) HIF1ALMNAGRIK1MEN1KMT2A
SCHEMBL6714364 0.83 HIF1A (0.45) HIF1ALMNAGRIK1MEN1KMT2A

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HIF1A 296/4885LMNA 4062/4885CYP1A2 492/4885

“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.