SCHEMBL1010264

SCHEMBL1010264

O=[N+]([O-])C=Cc1cccc2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.53
NPC1 O15118 1/20 0.53
MTOR P42345 1/20 0.53
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 2/20 0.51
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RXRA P19793 1/20 0.49
MAOB P27338 4/20 0.48
GSK3B P49841 1/20 0.44
PRMT1 Q99873 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
FBP1 P09467 6/20 0.43
TLR4 O00206 1/20 0.42

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
SCHEMBL1010263 1.00 VCP (0.53) VCPNPC1MTORRAB9AHSP90AA1
SCHEMBL1009956 0.87 KDM4E (0.56) VCPNPC1MTORRAB9AHSP90AA1
SCHEMBL1009957 0.87 KDM4E (0.56) VCPNPC1MTORRAB9AHSP90AA1
SCHEMBL161792 0.75 GSK3B (0.54) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL29706697 0.75 GSK3B (0.54) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL1403602 0.75 MAOB (0.48) ALDH1A1LMNAMAPK1MAOBGSK3B
SCHEMBL1403601 0.75 MAOB (0.48) ALDH1A1LMNAMAPK1MAOBGSK3B
SCHEMBL13972664 0.74 MAOB (0.50) MAOBGSK3BKDM4E
SCHEMBL3570479 0.73 MAOB (0.60) ALDH1A1LMNAMAPK1MAOBGSK3B
SCHEMBL4168160 0.73 MAOB (0.47) ALDH1A1LMNAMAPK1MAOBGSK3B

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-2024036114-A2 COMBINATION THERAPY INCLUDING COX-2 INHIBITOR FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-15 WO disclosed
US-20180319812-A1 HETEROCYCLIC COMPOUND ACTION MEDICAL TECHNOLOGIES, LLC 2018-11-08 US disclosed
US-10053468-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
EP-3018126-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-05-11 EP 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
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-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-01-22 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
WO-1995007260-A1 TETRAHYDROISOQUINOLINES AS ALPHA-2 ANTAGONISTS AND BIOGENIC AMINE UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-16 WO disclosed
US-5389638-A Nervous system disorders ABBOTT LABORATORIES (US) 1995-02-14 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 (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-10053468-B2 Heterocyclic compound RORC, RORB, RORA VCP 4619/4885NPC1 962/4885MTOR 1625/4885
US-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA VCP 4619/4885NPC1 962/4885MTOR 1625/4885
US-20180319812-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA VCP 4619/4885NPC1 962/4885MTOR 1625/4885
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof OPRD1, QDPR, RECQL VCP 4460/4885NPC1 1876/4885MTOR 3793/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 VCP 3817/4885NPC1 1203/4885MTOR 1916/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 VCP 3652/4885NPC1 1803/4885MTOR 1736/4885

“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.