SCHEMBL6830877

SCHEMBL6830877

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)c4ccc(Br)cc4)c3[nH]2)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
ALB P02768 2/20 0.46
DHODH Q02127 1/20 0.45
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.43
TSHR P16473 1/20 0.43
RIN1 Q13671 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
NHERF1 O14745 1/20 0.40
GPR35 Q9HC97 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
SCHEMBL6834154 0.93 KMT2A (0.49) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6834115 0.91 ALB (0.47) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6834385 0.90 SERPINE1 (0.51) ALBDHODHKMT2ANR1H4RXFP1
SCHEMBL6833137 0.88 MAP3K5 (0.44) ALBKMT2ANR1H4RXFP1NHERF1
SCHEMBL6830615 0.88 ALB (0.44) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6835708 0.87 CCKAR (0.51) NHERF1
SCHEMBL6833897 0.85 ALB (0.42) ALBKMT2ANR1H4RXFP1NHERF1
SCHEMBL6835688 0.85 GFER (0.45) ALBNR1H4RXFP1NHERF1
SCHEMBL6830151 0.85 ALB (0.42) ALBKMT2ATDP1MAPTNR1H4
SCHEMBL6834000 0.85 KMT2A (0.53) AKR1C2AKR1C1AKR1C4AKR1C3ALB

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 AKR1C2 2596/4885AKR1C1 2161/4885AKR1C4 2813/4885

“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.