SCHEMBL6709129

SCHEMBL6709129

Cc1cc(CC([NH])=O)on1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.58
HCAR2 Q8TDS4 1/20 0.46
POLB P06746 2/20 0.45
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL4093165 0.82 VHL (0.60) VHLHCAR2POLBP2RX7MEN1
SCHEMBL6251 0.82 VHL (0.60) VHLHCAR2POLBP2RX7MEN1
SCHEMBL314857 0.81 VHL (0.58) VHLHCAR2POLBP2RX7MEN1
Hydrochloric Acid SCHEMBL1375734 0.81 VHL (0.58) VHLHCAR2POLBP2RX7MEN1
SCHEMBL1698651 0.81 VHL (0.58) VHLHCAR2POLBP2RX7MEN1
SCHEMBL12530329 0.79 VHL (0.57) VHLHCAR2POLBP2RX7MEN1
SCHEMBL13851448 0.78 VHL (0.55) VHLHCAR2POLBP2RX7MEN1
SCHEMBL14097635 0.78 VHL (0.55) VHLHCAR2POLBP2RX7MEN1
SCHEMBL1136794 0.78 VHL (0.59) VHLHCAR2POLBP2RX7MEN1
SCHEMBL12158565 0.78 VHL (0.64) VHLHCAR2POLBP2RX7MEN1

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 4 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 claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 VHL 411/4885HCAR2 385/4885POLB 626/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 VHL 241/4885HCAR2 344/4885POLB 637/4885

“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.