SCHEMBL6691497

SCHEMBL6691497

CCCCCCc1csc(C(=O)NN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GPR84 Q9NQS5 2/20 0.41
PTGS2 P35354 3/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ENPP2 Q13822 1/20 0.40
DAO P14920 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 1/20 0.39
CYP3A4 P08684 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL6695308 0.98 ALDH1A1 (0.51) ALDH1A1LMNAGPR84PTGS2GPR35
SCHEMBL6691527 0.94 ALDH1A1 (0.53) ALDH1A1LMNAGPR84MAPTNPSR1
SCHEMBL11023368 0.84 HPGD (0.56) ALDH1A1GPR84PTGS2GPR35MAPT
SCHEMBL30372303 0.84 GPR35 (0.48) ALDH1A1LMNAGPR84PTGS2GPR35
SCHEMBL11453552 0.83 MAPT (0.61) ALDH1A1LMNAGPR84PTGS2GPR35
SCHEMBL11718951 0.83 DAO (0.58) ALDH1A1GPR84PTGS2GPR35MAPT
SCHEMBL11024967 0.83 DAO (0.58) ALDH1A1GPR84PTGS2GPR35MAPT
SCHEMBL15177362 0.83 MAPT (0.61) ALDH1A1LMNAGPR84PTGS2GPR35
SCHEMBL1863292 0.83 ALDH1A1 (0.46) ALDH1A1LMNAGPR84PTGS2MAPT
SCHEMBL6143579 0.83 HPGD (0.58) ALDH1A1GPR84PTGS2GPR35MAPT

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 4716/4885GPR84 3245/4885
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 4800/4885GPR84 3137/4885

“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.