SCHEMBL6710016

SCHEMBL6710016

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2cc(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)c([N+](=O)[O-])cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.35
GPR35 Q9HC97 2/20 0.33
RORC P51449 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MAPT P10636 5/20 0.32
HTT P42858 3/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
GAA P10253 2/20 0.31
MYC P01106 1/20 0.30
MAX P61244 1/20 0.30

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
SCHEMBL7129851 0.91 LMNA (0.36) LMNACYP1A2HIF1ARORCABCC8
SCHEMBL6709124 0.89 LMNA (0.35) LMNACYP1A2HIF1ARORCABCC8
SCHEMBL6713674 0.88 LMNA (0.37) LMNACYP1A2HIF1ARORCAKR1C2
SCHEMBL6707699 0.86 HIF1A (0.43) LMNACYP1A2HIF1AALDH1A1MAPT
Sulfuric Acid SCHEMBL6819163 0.82 AKR1C2 (0.44) LMNACYP1A2HIF1ARORCAKR1C2
SCHEMBL6834684 0.81 LMNA (0.41) LMNACYP1A2HIF1ARORCAKR1C2
SCHEMBL6710398 0.79 LMNA (0.37) LMNACYP1A2HIF1ARORCALDH1A1
SCHEMBL6710349 0.78 HIF1A (0.38) LMNAHIF1AGPR35ALDH1A1MAPT
SCHEMBL6711582 0.77 KMT2A (0.36) CYP1A2HIF1AGPR35MAPTHTT
SCHEMBL6709169 0.77 EPHX2 (0.41) HIF1AGPR35ALDH1A1MAPTHTT

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 LMNA 4062/4885CYP1A2 492/4885HIF1A 296/4885

“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.