SCHEMBL2183233

SCHEMBL2183233

COCc1nn(C)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MITF O75030 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
NTSR1 P30989 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1559603 0.82 L3MBTL1 (0.48) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL21964566 0.82 L3MBTL1 (0.40) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL23880174 0.81 L3MBTL1 (0.39) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL28125498 0.79 L3MBTL1 (0.44) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL7686440 0.77 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL1881388 0.76 TXNRD1 (0.40) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL18049571 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL18049623 0.76 L3MBTL1 (0.46) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL18418903 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1POLBMAPTLMNA
SCHEMBL31074579 0.73 ALDH1A1 (0.33) L3MBTL1ALDH1A1LMNAMEN1KMT2A

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
US-12358879-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-15 US disclosed
EP-4046688-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-04-09 EP disclosed
US-20230322683-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 US disclosed
EP-4046688-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-08-24 EP disclosed
EP-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
EP-3267996-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 EP disclosed
WO-2016144846-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
CN-102124000-B Pyridine compounds ASTRAZENECA AB 2014-09-17 CN disclosed
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
CN-102124000-A Pyridine compounds ASTRAZENECA AB 2011-07-13 CN disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 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 (5 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-20230322683-A1 HETEROCYCLIC COMPOUND PARK7, SMN1; SMN2, SNCA L3MBTL1 547/4885ALDH1A1 1856/4885POLB 1400/4885
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 L3MBTL1 1305/4885ALDH1A1 2153/4885POLB 1348/4885
US-12358879-B2 Heterocyclic compound PARK7, SMN1; SMN2, SNCA L3MBTL1 547/4885ALDH1A1 1856/4885POLB 1400/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP L3MBTL1 4279/4885ALDH1A1 2505/4885POLB 3557/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 L3MBTL1 1305/4885ALDH1A1 2153/4885POLB 1348/4885

“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.