SCHEMBL6708923

SCHEMBL6708923

CCCCOc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(Br)cc4-c4noc(=O)[nH]4)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CYSLTR2 Q9NS75 6/20 0.42
CYSLTR1 Q9Y271 6/20 0.42
TP53 P04637 5/20 0.42
PLK1 P53350 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR35 Q9HC97 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6710253 0.91 TP53 (0.43) CYSLTR2CYSLTR1TP53PLK1MAPT
SCHEMBL6710226 0.90 TP53 (0.43) CYSLTR2CYSLTR1TP53PLK1MAPT
SCHEMBL6708679 0.89 GRIK1 (0.44) TP53MAPTGPR35POLBRXFP1
SCHEMBL6714095 0.88 HDAC3 (0.41) TP53MAPTSMN1; SMN2LMNAPOLB
SCHEMBL6710002 0.88 MEN1 (0.41) TP53MAPTSMN1; SMN2LMNAPOLB
SCHEMBL6712479 0.88 HDAC3 (0.42) TP53MAPTRAB9ALMNAPOLB
SCHEMBL6709836 0.88 HDAC3 (0.42) TP53MAPTRAB9ALMNAPOLB
SCHEMBL6713760 0.87 GRIK1 (0.42) AKR1C2AKR1C1TP53MAPTGPR35
SCHEMBL6713484 0.87 POLB (0.39) AKR1C2AKR1C1TP53MAPTNPC1
SCHEMBL6711957 0.86 GRIK1 (0.40) TP53MAPTSMN1; SMN2LMNAPOLB

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 AKR1C2 2196/4885AKR1C1 1676/4885CYSLTR2 3983/4885

“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.