SCHEMBL6709974

SCHEMBL6709974

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2cc(OS(=O)(=O)Cc3ccccc3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.33
HIF1A Q16665 9/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SCD5 Q86SK9 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL6709979 0.89 MAOB (0.35) GPR35HIF1ANPSR1RXFP1SCD5
SCHEMBL6707827 0.89 HIF1A (0.32) HIF1A
SCHEMBL6708058 0.88 ENPP3 (0.36) HIF1AKMT2A
SCHEMBL6709047 0.88 SMPD1 (0.37) GPR35HIF1A
SCHEMBL6710102 0.87 GRIK1 (0.35) GPR35HIF1ASCD5KMT2AMEN1
SCHEMBL6710115 0.86 HDAC1 (0.35) GPR35HIF1ANPSR1RXFP1
SCHEMBL6710496 0.83 GPR35 (0.46) GPR35HIF1AKMT2AMEN1
SCHEMBL6713264 0.82 GPR35 (0.39) GPR35HIF1ANPSR1RXFP1KMT2A
SCHEMBL6710038 0.82 HIF1A (0.45) GPR35HIF1ANPSR1RXFP1SCD5
SCHEMBL6713076 0.81 AURKA (0.35) GPR35HIF1ANPSR1RXFP1KMT2A

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 GPR35 2928/4885HIF1A 296/4885NPSR1 2999/4885

“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.