SCHEMBL1011167

SCHEMBL1011167

COc1cccc(/C=C/[N+](=O)[O-])c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 1.00
NFE2L2 Q16236 7/20 0.58
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
NTSR1 P30989 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
CYP1A1 P04798 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP1B1 Q16678 3/20 0.51
MAPT P10636 2/20 0.51
CYP19A1 P11511 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
VCP P55072 1/20 0.50

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
SCHEMBL1011169 1.00 PRMT1 (1.00) PRMT1NFE2L2ALDH1A1LMNANTSR1
SCHEMBL5733568 0.87 PRMT1 (0.76) PRMT1NFE2L2ALDH1A1LMNANTSR1
SCHEMBL11524768 0.86 PRMT1 (0.74) PRMT1NFE2L2ALDH1A1LMNANTSR1
SCHEMBL11524772 0.86 PRMT1 (0.74) PRMT1NFE2L2ALDH1A1LMNANTSR1
SCHEMBL4501433 0.85 PRMT1 (0.74) PRMT1ALDH1A1LMNANTSR1CYP1A1
SCHEMBL3068655 0.85 PRMT1 (0.74) PRMT1ALDH1A1LMNANTSR1TDP1
SCHEMBL4501431 0.85 PRMT1 (0.74) PRMT1ALDH1A1LMNANTSR1CYP1A1
SCHEMBL3068651 0.85 PRMT1 (0.74) PRMT1ALDH1A1LMNANTSR1TDP1
SCHEMBL14812451 0.85 PRMT1 (0.74) PRMT1ALDH1A1LMNANTSR1CYP1A1
SCHEMBL793033 0.85 PRMT1 (0.73) PRMT1NFE2L2ALDH1A1LMNANTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 PRMT1 137/4885NFE2L2 2914/4885ALDH1A1 2895/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PRMT1 212/4885NFE2L2 2852/4885ALDH1A1 3094/4885

“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.