SCHEMBL6694136

SCHEMBL6694136

NNC(=O)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
MIF P14174 1/20 0.49
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTSD P07339 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 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
SCHEMBL28263654 0.80 SMN1; SMN2 (0.50) ALDH1A1LMNAMIFMAPTGAA
SCHEMBL1847472 0.78 DAO (0.48) ALDH1A1MIFMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8634171 0.77 DAO (0.47) ALDH1A1MIFMAPTMEN1KMT2A
SCHEMBL8634167 0.77 MIF (0.46) ALDH1A1LMNAMIFMAPTMEN1
SCHEMBL2789975 0.77 MAPT (0.48) ALDH1A1LMNAMIFMAPTMEN1
SCHEMBL1844829 0.76 MIF (0.43) ALDH1A1LMNAMIFMAPTGAA
SCHEMBL11213610 0.76 KMT2A (0.49) ALDH1A1LMNAMIFMAPTGAA
Hydrochloric Acid SCHEMBL9780002 0.75 SMN1; SMN2 (0.39) ALDH1A1LMNAMIFMAPTGAA
SCHEMBL18430372 0.72 MIF (0.40) ALDH1A1LMNAMIFMAPTMEN1
SCHEMBL18430395 0.72 HDAC6 (0.49) ALDH1A1MIFMAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803379-B2 TREATMENT OF VIRAL, BACTERIAL, PARASITIC, PROLIFERATIVE DISEASES, NEURODEGENERATIVE DISEASES, INFLAMMATORY DISEASES, HEAVY METAL POISONING AND IMMUNOGICAL DISEASES WITH THIOPHENE-2-CARBOXYLIC ACID, 2-FUROIC ACID OR DERIVATIVES POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2004-10-12 US disclosed
US-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets FERNANDEZ-POL JOSE A (US) 2004-08-26 US disclosed
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2003-12-04 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 (2 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-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets ZFX, ZFR, SLC30A6 ALDH1A1 1453/4885LMNA 4716/4885MIF 152/4885
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets ZFX, ZFR, SLC30A6 ALDH1A1 1314/4885LMNA 4800/4885MIF 257/4885

“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.