SCHEMBL4332417

SCHEMBL4332417

O=C(CC1CCc2ccccc2NC1=O)NO

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
PYGL P06737 5/20 0.45
PYGM P11217 5/20 0.45
MTNR1A P48039 1/20 0.42
RIPK1 Q13546 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4324384 0.86 PYGL (0.43) DDB1CRBNPYGLPYGMKDM4E
SCHEMBL14365521 0.85 MTNR1A (0.41) DDB1CRBNPYGLPYGMMTNR1A
SCHEMBL4335722 0.85 GLA (0.47) DDB1CRBNPYGLPYGMRIPK1
SCHEMBL7691772 0.77 NPC1 (0.47) DDB1CRBNPYGLPYGMRIPK1
SCHEMBL14614572 0.77 NPC1 (0.47) DDB1CRBNPYGLPYGMMTNR1A
SCHEMBL25556417 0.77 NPC1 (0.47) DDB1CRBNPYGLPYGMMTNR1A
SCHEMBL11118089 0.75 PYGL (0.38) DDB1CRBNPYGLPYGMMTNR1A
SCHEMBL7543352 0.75 PYGL (0.38) DDB1CRBNPYGLPYGMMTNR1A
SCHEMBL4322751 0.75 NPC1 (0.40) DDB1CRBNPYGLPYGMRIPK1
SCHEMBL3457244 0.74 NPC1 (0.45) DDB1CRBNPYGLPYGMMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US disclosed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 DDB1 2945/4885CRBN 3918/4885PYGL 822/4885
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 DDB1 1251/4885CRBN 3558/4885PYGL 2411/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF DDB1 3379/4885CRBN 3887/4885PYGL 826/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 DDB1 1334/4885CRBN 4173/4885PYGL 2392/4885

“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.