SCHEMBL6713992

SCHEMBL6713992

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)C3CCC3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.42
ALDH1A1 P00352 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 3/20 0.34
PARP14 Q460N5 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP3K5 Q99683 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6707932 0.98 GPR35 (0.44) GPR35ALDH1A1MAPTRXFP1PARP14
SCHEMBL6710224 0.97 GPR35 (0.46) GPR35ALDH1A1MAPTRXFP1
SCHEMBL6709156 0.97 GPR35 (0.40) GPR35MAPTRXFP1PARP14HIF1A
SCHEMBL6713856 0.90 PLCG2 (0.38) ALDH1A1PARP14
SCHEMBL6709868 0.90 GPR35 (0.35) GPR35MAPTRXFP1HIF1ANPSR1
SCHEMBL6711624 0.89 HDAC1 (0.35) GPR35MAPTRXFP1HIF1ANPSR1
SCHEMBL6711627 0.89 HDAC1 (0.35) GPR35MAPTRXFP1HIF1ANPSR1
SCHEMBL6711631 0.89 HDAC1 (0.35) GPR35MAPTRXFP1HIF1ANPSR1
SCHEMBL6709998 0.88 GSK3B (0.37) GPR35ALDH1A1RXFP1PARP14MAP3K5
SCHEMBL6713465 0.88 GPR35 (0.43) GPR35RXFP1HIF1ANPSR1

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 2928/4885ALDH1A1 123/4885AAK1 3146/4885

“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.