SCHEMBL6711682

SCHEMBL6711682

O=C(Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.52
RXFP1 Q9HBX9 3/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 0.93 HIF1A (0.47) GPR35RXFP1TP53MAPTHIF1A
SCHEMBL6713465 0.93 GPR35 (0.43) GPR35RXFP1HIF1ANPSR1
SCHEMBL6713933 0.90 RXFP1 (0.41) GPR35RXFP1POLBTP53MAPT
SCHEMBL6707659 0.89 GPR35 (0.49) GPR35RXFP1POLBTP53MAPT
SCHEMBL6708738 0.89 PARP14 (0.43) GPR35RXFP1POLBTP53MAPT
SCHEMBL6708817 0.88 IRAK4 (0.40) GPR35RXFP1HIF1ANPSR1
SCHEMBL6707953 0.88 MAP3K5 (0.45) GPR35RXFP1POLBTP53MAPT
SCHEMBL6713373 0.87 RXFP1 (0.40) GPR35RXFP1POLBTP53MAPT
SCHEMBL6708158 0.87 GPR35 (0.38) GPR35RXFP1POLBTP53MAPT
SCHEMBL6711486 0.87 NPC1 (0.42) RXFP1HIF1ANPSR1NPC1RAB9A

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 2928/4885RXFP1 3836/4885POLB 626/4885

“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.