SCHEMBL6834684

SCHEMBL6834684

CC(C)(C)OC(=O)c1cc(Br)ccc1NC(=O)c1noc2cc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)c([N+](=O)[O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PKM P14618 1/20 0.35
RORC P51449 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
WDR5 P61964 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6818219 0.90 AKR1C2 (0.35) LMNACYP1A2AKR1C2AKR1C1PKM
Sulfuric Acid SCHEMBL6819163 0.86 AKR1C2 (0.44) LMNACYP1A2HIF1AAKR1C2AKR1C1
SCHEMBL6713674 0.81 LMNA (0.37) LMNACYP1A2HIF1AAKR1C2AKR1C1
SCHEMBL6710016 0.81 LMNA (0.36) LMNACYP1A2HIF1AAKR1C2AKR1C1
SCHEMBL6833135 0.79 KCNK2 (0.40) LMNACYP1A2HIF1AAKR1C2AKR1C1
Sulfuric Acid SCHEMBL6834053 0.77 KCNK2 (0.38) LMNACYP1A2HIF1AAKR1C2AKR1C1
SCHEMBL6833681 0.76 SMN1; SMN2 (0.44) LMNACYP1A2AKR1C2PKMKMT2A
Nitric Acid SCHEMBL6833828 0.74 SMN1; SMN2 (0.43) LMNACYP1A2AKR1C2PKMKMT2A
SCHEMBL6710398 0.74 LMNA (0.37) LMNACYP1A2HIF1APKMRORC
SCHEMBL7129851 0.73 LMNA (0.36) LMNACYP1A2HIF1APKMRORC

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 LMNA 3376/4885CYP1A2 710/4885HIF1A 220/4885

“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.