SCHEMBL2082946

SCHEMBL2082946

O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2nc(C(F)(F)F)nc(-c3ccccc3)c2-c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MITF O75030 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
S1PR4 O95977 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
PAX8 Q06710 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL2084529 0.93 SLC2A1 (0.48) SLC2A1ALDH1A1RAB9APDE4APDE4B
SCHEMBL2082801 0.88 SLC2A1 (0.44) SLC2A1ALDH1A1RAB9AMITFPOLB
SCHEMBL2085020 0.86 CA12 (0.54) SLC2A1ALDH1A1RAB9APDE4APDE4B
SCHEMBL2084783 0.86 CA12 (0.54) SLC2A1ALDH1A1RAB9APDE4APDE4B
SCHEMBL2082719 0.84 SLC2A1 (0.44) SLC2A1ALDH1A1RAB9APDE4APDE4B
SCHEMBL13062965 0.84 PDE4A (0.46) ALDH1A1RAB9APDE4APDE4BPDE4C
SCHEMBL27750166 0.77 PDE4A (0.38) SLC2A1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL2082675 0.75 PDE4A (0.44) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL31349296 0.74 POLB (0.66) SLC2A1ALDH1A1RAB9AMITFNPSR1
SCHEMBL27801960 0.74 PDE4A (0.45) ALDH1A1PDE4APDE4BPDE4CPDE4D

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP claimed
US-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US claimed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US claimed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US claimed
EP-1973884-A2 NOVEL HETEROCYCLES Orchid Research Laboratories Limited (IN) 2008-10-01 EP claimed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US claimed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO claimed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US claimed
EP-1973884-B1 NOVEL HETEROCYCLES ORCHID PHARMA LTD (IN) 2016-08-03 EP disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-8828999-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2014-09-09 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2013-07-04 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
WO-2007083182-A2 NOVEL HETEROCYCLES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-07-26 WO disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 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 (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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A SLC2A1 2907/4885ALDH1A1 2724/4885RAB9A 610/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 SLC2A1 3003/4885ALDH1A1 2623/4885RAB9A 637/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 SLC2A1 1782/4885ALDH1A1 2440/4885RAB9A 430/4885
US-20130172350-A1 PYRIMIDINE COMPOUNDS AND THEIR USES UMPS, PNP, PDE4A SLC2A1 1995/4885ALDH1A1 2221/4885RAB9A 1632/4885

“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.