SCHEMBL4946316

SCHEMBL4946316

O=C(O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RPA1 P27694 1/20 0.49
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30370342 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL3063301 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL13078465 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL13044122 0.84 MEN1 (0.53) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL4944264 0.82 SLC9A1 (0.71)
SCHEMBL12670456 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4944262 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1HTT
SCHEMBL14472215 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6355620 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2135901 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed
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
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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 (4 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 MEN1 2438/4885KMT2A 3080/4885ALDH1A1 1453/4885
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 MEN1 2726/4885KMT2A 4059/4885ALDH1A1 297/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE MEN1 3552/4885KMT2A 3983/4885ALDH1A1 4380/4885
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 MEN1 2720/4885KMT2A 2922/4885ALDH1A1 1314/4885

“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.