SCHEMBL6833135

SCHEMBL6833135

N#Cc1ccc(NC(=O)c2noc3cc(-c4ccc([N+](=O)[O-])cc4C(F)(F)F)c([N+](=O)[O-])cc23)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.40
KCNK10 P57789 1/20 0.40
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PYGL P06737 1/20 0.36
RORC P51449 1/20 0.35
ALB P02768 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.33
EIF4E P06730 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
Sulfuric Acid SCHEMBL6834053 0.97 KCNK2 (0.38) KCNK2KCNK10LMNACYP1A2HIF1A
SCHEMBL6820255 0.89 KCNK2 (0.39) KCNK2KCNK10LMNAAKR1C2AKR1C1
Sulfuric Acid SCHEMBL6819163 0.86 AKR1C2 (0.44) KCNK2KCNK10LMNACYP1A2HIF1A
Sulfuric Acid SCHEMBL6818475 0.86 KCNK2 (0.37) KCNK2KCNK10LMNAAKR1C2AKR1C1
SCHEMBL6709076 0.85 LMNA (0.35) LMNACYP1A2HIF1AMEN1KMT2A
SCHEMBL6709124 0.85 LMNA (0.35) LMNACYP1A2HIF1AMEN1KMT2A
SCHEMBL6833928 0.84 HIF1A (0.47) KCNK2KCNK10LMNACYP1A2HIF1A
SCHEMBL6818535 0.82 KMT2A (0.39) HIF1AMEN1KMT2AALBMAPT
SCHEMBL6818889 0.79 EGLN2 (0.34) RORCALBMAPT
SCHEMBL6818143 0.79 SMN1; SMN2 (0.38) HIF1AMEN1KMT2AALBMAPT

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 KCNK2 3090/4885KCNK10 3434/4885LMNA 3376/4885

“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.