SCHEMBL20503501

SCHEMBL20503501

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SCN4A P35499 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MGLL Q99685 5/20 0.40
FAAH O00519 4/20 0.40
CYP19A1 P11511 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL20503479 0.83 GAA (0.48) GAASCN4AMEN1KMT2ABCL9
SCHEMBL22350699 0.82 GAA (0.43) GAASCN4AKMT2ABCL9CTNNB1
SCHEMBL29019508 0.82 GAA (0.45) GAASCN4AKMT2ABCL9CTNNB1
SCHEMBL24970320 0.79 HTT (0.51) GAASCN4AKMT2ABCL9CTNNB1
SCHEMBL20557088 0.78 KMT2A (0.43) GAAMEN1KMT2ABCL9CTNNB1
SCHEMBL21896802 0.76 SCN4A (0.50) GAASCN4AMEN1KMT2ABCL9
SCHEMBL20570751 0.75 SCN4A (0.46) GAASCN4AMEN1KMT2ABCL9
SCHEMBL20567635 0.74 SCN4A (0.51) GAASCN4AKMT2ABCL9CTNNB1
SCHEMBL20566659 0.72 MAPT (0.43) GAASCN4AKMT2ABCL9CTNNB1
SCHEMBL20571528 0.71 KEAP1 (0.37) MEN1KMT2ACYP1A2CYP2D6ALDH1A1

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 14 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-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
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 1500/4885SCN4A 2753/4885MEN1 2706/4885
US-20200087304-A1 PYRAZOLE MAGL INHIBITORS MAGI3, MAG, PYM1 GAA 1500/4885SCN4A 2753/4885MEN1 2706/4885
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 GAA 1767/4885SCN4A 2799/4885MEN1 4332/4885

“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.