SCHEMBL6710012

SCHEMBL6710012

O=C(Nc1ccc(Br)cc1-c1noc(=O)[nH]1)c1cc2cccc(NC(=O)c3ccccc3CCc3ccccc3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
CCKAR P32238 3/20 0.39
CCKBR P32239 3/20 0.39
HTT P42858 1/20 0.37
GRIK1 P39086 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL6713646 0.91 NHERF1 (0.40) ALDH1A1ADRB2CCKARCCKBRHTT
SCHEMBL6707634 0.89 CCKAR (0.38) ALDH1A1ADRB2CCKARCCKBRHTT
SCHEMBL6710377 0.88 MMP2 (0.42) ALDH1A1GRIK1KDM4E
SCHEMBL6710011 0.87 NPC1 (0.45) GRIK1
SCHEMBL6711794 0.87 ALDH1A1 (0.46) ALDH1A1HTTGRIK1LMNAMAPT
SCHEMBL6710051 0.87 MEN1 (0.40) ALDH1A1GRIK1KDM4E
SCHEMBL6708867 0.86 GRIK1 (0.40) HTTGRIK1LMNA
SCHEMBL6710295 0.86 NPC1 (0.42) GRIK1
SCHEMBL6713760 0.86 GRIK1 (0.42) GRIK1MAPTRXFP1
SCHEMBL6714337 0.85 CCKAR (0.40) ALDH1A1ADRB2CCKARCCKBRHTT

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 ALDH1A1 123/4885ADRB2 3735/4885CCKAR 3935/4885

“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.