SCHEMBL6709979

SCHEMBL6709979

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2cc(OS(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
GPR35 Q9HC97 3/20 0.35
HIF1A Q16665 8/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALPL P05186 2/20 0.33
ALPI P09923 1/20 0.33
SCD5 Q86SK9 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ENPP2 Q13822 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6920279 0.91 ENPP3 (0.40) MAOBHIF1AALPLALPIENPP3
SCHEMBL6709974 0.89 GPR35 (0.33) GPR35HIF1ANPSR1RXFP1SCD5
SCHEMBL6710401 0.88 ALPL (0.39) MAOBHIF1AALPLALPI
SCHEMBL6710206 0.87 MAOB (0.37) MAOBHIF1ANPSR1RXFP1ALPL
SCHEMBL6710496 0.86 GPR35 (0.46) GPR35HIF1AMEN1KMT2A
SCHEMBL6709047 0.86 SMPD1 (0.37) MAOBGPR35HIF1A
SCHEMBL6709254 0.86 GPR27 (0.37) HIF1ANPSR1RXFP1MEN1KMT2A
SCHEMBL6708058 0.85 ENPP3 (0.36) MAOBHIF1AALPLALPIENPP3
SCHEMBL6713264 0.84 GPR35 (0.39) GPR35HIF1ANPSR1RXFP1MEN1
SCHEMBL6710038 0.84 HIF1A (0.45) GPR35HIF1ANPSR1RXFP1SCD5

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 1 patent. 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

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 MAOB 1290/4885GPR35 2928/4885HIF1A 296/4885

“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.