SCHEMBL6711633

SCHEMBL6711633

Cn1c(C(=O)Nc2ccc(Br)cc2-c2noc(=O)[nH]2)cc2cccc(OCC3CCCCO3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
GRIK1 P39086 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GRM4 Q14833 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
PTK2 Q05397 1/20 0.33
MITF O75030 1/20 0.33
F2 P00734 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
SCHEMBL6710176 0.92 PTGER1 (0.40) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6708955 0.91 XDH (0.39) GRIK1IRAK4GRM5
SCHEMBL6708005 0.91 EGLN1 (0.38) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6709839 0.90 XDH (0.37) MAPTGRIK1IRAK4LMNAGRM5
SCHEMBL6711788 0.90 KDM1A (0.36) MAPTGRIK1IRAK4LMNAGRM5
SCHEMBL6708205 0.88 MAPT (0.35) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6707796 0.87 MAPK14 (0.36) GRIK1F10GRM5
SCHEMBL6712425 0.86 TP53 (0.38) SMN1; SMN2MAPTRAB9AGRIK1NPC1
SCHEMBL6710118 0.85 GRIK1 (0.37) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL6709918 0.85 GRIK1 (0.38) KDM4EMAPTGRIK1LMNAGRM5

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 ALDH1A1 123/4885HPGD 1253/4885KDM4E 1582/4885

“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.