SCHEMBL72187

SCHEMBL72187

COC(=O)c1cnc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
VCAM1 P19320 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
OPRK1 P41145 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TPMT P51580 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14060781 0.86 TPMT (0.54) MAPTMAPK1POLBTPMTHPGD
SCHEMBL5309167 0.85 MAPT (0.51) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL16545190 0.85 MAPT (0.51) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL11377331 0.84 MAPK1 (0.59) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL2833396 0.84 JAK2 (0.46) MAPTMAPK1POLBVCAM1KDM4E
SCHEMBL72992 0.83 MAPT (0.57) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL31440674 0.83 MAPT (0.57) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL18038271 0.83 MAPK1 (0.57) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL16651908 0.83 MAPT (0.49) MAPTMAPK1POLBVCAM1L3MBTL1
SCHEMBL15529725 0.83 MAPT (0.49) MAPTMAPK1POLBVCAM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026088205-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE INTONATION RESEARCH LABORATORIES PRIVATE LIMITED. (IN) 2026-04-30 WO disclosed
US-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2014-06-19 US disclosed
WO-2012160030-A1 PYRIDIN-2 (1H) -ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES ALMIRALL, S.A. (ES) 2012-11-29 WO disclosed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (6 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-20140170110-A1 PYRIDIN-2(1H)-ONE DERIVATIVES USEFUL AS MEDICAMENTS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISORDERS, TRANSPLANT REJECTION, IMMUNE-MEDIATED AND INFLAMMATORY DISEASES JAK1, JAK3, JAK2 MAPT 3564/4885MAPK1 22/4885POLB 3084/4885
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C MAPT 4331/4885MAPK1 759/4885POLB 1624/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A MAPT 4353/4885MAPK1 791/4885POLB 1760/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A MAPT 4460/4885MAPK1 818/4885POLB 1660/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A MAPT 4460/4885MAPK1 818/4885POLB 1660/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A MAPT 4353/4885MAPK1 791/4885POLB 1760/4885

“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.