SCHEMBL6830641

SCHEMBL6830641

N#Cc1ccc(NC(=O)c2noc3cc(Br)ccc23)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.43
AKR1C1 Q04828 4/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
ALB P02768 2/20 0.42
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
STING1 Q86WV6 1/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.38
TSHR P16473 1/20 0.38
RIN1 Q13671 1/20 0.38
SCD5 Q86SK9 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL6830124 0.92 AKR1C2 (0.43) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6821929 0.89 ALB (0.43) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6830664 0.88 HIF1A (0.44) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6813915 0.88 ALB (0.42) ALBHIF1A
SCHEMBL6814011 0.87 ACLY (0.38) AKR1C2AKR1C1AKR1C4AKR1C3ALB
SCHEMBL6830490 0.86 HIF1A (0.55) ALBHIF1A
SCHEMBL6833104 0.86 HIF1A (0.49) ALBHIF1A
SCHEMBL6832994 0.85 HIF1A (0.46) ALBKCNK2KDM4EHIF1AMAPT
SCHEMBL6818222 0.84 ALB (0.48) ALBHIF1A
SCHEMBL6833638 0.83 KDM4E (0.41) ALBTDP1KDM4EHIF1AMAPT

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-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.