SCHEMBL513103

SCHEMBL513103

COc1ccc([N+](=O)[O-])[c]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.40
MAPT P10636 2/20 0.40
S1PR1 P21453 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
TXNRD1 Q16881 14/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.36
PABPC1 P11940 2/20 0.36
KMT2A Q03164 2/20 0.36
JAK2 O60674 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
GSR P00390 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6543843 0.81 ALDH1A1 (0.36) MAPTMAPK1RAB9ATXNRD1ALDH1A1
SCHEMBL6544139 0.81 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL135688 0.75 ALDH1A1 (0.43) MAPTALDH1A1TDP1KMT2AHTT
SCHEMBL7408489 0.73 MAPK1 (0.40) MAPTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL9100291 0.71 GPR35 (0.39) MAPTRAB9AALDH1A1TDP1MEN1
SCHEMBL1531229 0.71 ALDH1A1 (0.35) MAPTMAPK1TXNRD1ALDH1A1TDP1
SCHEMBL27587949 0.70 ALDH1A1 (0.31) MAPTALDH1A1TDP1HTT
SCHEMBL5214024 0.67 NNMT (0.32) TDP1POLB
SCHEMBL8477778 0.67
SCHEMBL17339075 0.67 LMNA (0.34) MAPTALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US claimed
EP-4100410-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-12-14 EP claimed
CN-115362156-A Muscarinic receptor 4 antagonists and methods of use 纽罗克里生物科学有限公司 2022-11-18 CN claimed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO claimed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
EP-4100410-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-12-14 EP disclosed
CN-115362156-A Muscarinic receptor 4 antagonists and methods of use 纽罗克里生物科学有限公司 2022-11-18 CN disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO disclosed
WO-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
US-5438059-A Derivatives of propenoic acid; stereoisomers; applying to plants ZENECA LIMITED (GB) 1995-08-01 US disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 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 (3 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 S1PR4 1851/4885MAPT 4396/4885S1PR1 3560/4885
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 S1PR4 251/4885MAPT 1187/4885S1PR1 427/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 S1PR4 4051/4885MAPT 2573/4885S1PR1 3991/4885

“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.