SCHEMBL6713465

SCHEMBL6713465

O=C(Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.43
TDP1 Q9NUW8 1/20 0.43
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DHODH Q02127 1/20 0.38

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
SCHEMBL6711741 0.96 HIF1A (0.47) GPR35TDP1HIF1ANPSR1RXFP1
SCHEMBL6711682 0.93 GPR35 (0.52) GPR35HIF1ANPSR1RXFP1
SCHEMBL6708019 0.93 GPR35 (0.44) GPR35TDP1
SCHEMBL6707953 0.93 MAP3K5 (0.45) GPR35TDP1HIF1ANPSR1RXFP1
SCHEMBL6711486 0.92 NPC1 (0.42) HIF1ANPSR1RXFP1
SCHEMBL6711731 0.91 KDR (0.43) GPR35TDP1HIF1ANPSR1RXFP1
SCHEMBL6713312 0.90 TDP1 (0.38) GPR35TDP1HIF1ANPSR1RXFP1
SCHEMBL6710241 0.90 GPR35 (0.43) GPR35TDP1HIF1ANPSR1RXFP1
SCHEMBL6708158 0.90 GPR35 (0.38) GPR35HIF1ANPSR1RXFP1
SCHEMBL6708817 0.90 IRAK4 (0.40) GPR35TDP1HIF1ANPSR1RXFP1

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 GPR35 2928/4885TDP1 2977/4885HIF1A 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.