SCHEMBL20503479

SCHEMBL20503479

CC(=O)Nc1ccn(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 4/20 0.47
DYRK1A Q13627 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SCN4A P35499 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MGLL Q99685 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL22350699 0.84 GAA (0.43) GAACYP1A2ALDH1A1MAPTSCN4A
SCHEMBL20503501 0.83 GAA (0.42) GAACYP1A2ALDH1A1HSP90AA1SCN4A
SCHEMBL24970320 0.81 HTT (0.51) GAACYP1A2ALDH1A1MAPTSCN4A
SCHEMBL20570954 0.79 RAB9A (0.43) GAACYP1A2ALDH1A1MAPTPOLB
Nitrobenzene SCHEMBL28244051 0.79 MAPT (0.51) GAACYP1A2ALDH1A1HSP90AA1MAPT
SCHEMBL21896802 0.78 SCN4A (0.50) GAACYP1A2ALDH1A1MAPTKDM4E
SCHEMBL20556560 0.77 MAPT (0.52) GAACYP1A2ALDH1A1HSP90AA1MAPT
SCHEMBL20570751 0.77 SCN4A (0.46) GAACYP1A2ALDH1A1KDM4ESCN4A
SCHEMBL20556890 0.77 MAPT (0.44) GAAALDH1A1HSP90AA1MAPTDYRK1A
SCHEMBL29019508 0.77 GAA (0.45) GAACYP1A2ALDH1A1MAPTSCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634404-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2024-11-20 EP disclosed
CN-110678177-B Pyrazole MAGL inhibitors H.隆德贝克有限公司 2023-06-13 CN disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
US-11149037-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2021-10-19 US disclosed
CN-108601769-B Pyrazole compounds and methods of making and using the same H.隆德贝克有限公司 2021-09-03 CN disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
EP-3634404-A1 PYRAZOLE MAGL INHIBITORS Lundbeck La Jolla Research Center, Inc. (US) 2020-04-15 EP disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US disclosed
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-03-19 US disclosed
CN-110678177-A Pyrazole MAGL inhibitors 隆德贝克拉荷亚研究中心有限公司 2020-01-10 CN disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
WO-2018217809-A1 PYRAZOLE MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-11-29 WO disclosed
CN-108601769-A Pyrazole compound and its preparation and application 阿比德治疗公司 2018-09-28 CN disclosed
EP-3377060-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-09-26 EP 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-11149037-B2 Pyrazole MAGL inhibitors MAGI3, MAG, PYM1 GAA 1500/4885CYP1A2 1040/4885ALDH1A1 4019/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 GAA 1500/4885CYP1A2 1040/4885ALDH1A1 4019/4885
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 GAA 1767/4885CYP1A2 1697/4885ALDH1A1 1812/4885

“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.