SCHEMBL3463863

SCHEMBL3463863

CCOC(=O)c1n[nH]c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.50
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.45
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AR P10275 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL1558734 0.85 KDM4C (0.50) MAPTALDH1A1CASP7CASP6KDM4E
SCHEMBL30910165 0.85 KDM4E (0.43) PDE4DMAPTALDH1A1KDM4EPOLB
SCHEMBL9912567 0.81 ABCC8 (0.43) PDE4DMAPTALDH1A1KDM4EPOLB
SCHEMBL28020015 0.80 MAPT (0.43) MAPTALDH1A1CASP7CASP6NPC1
SCHEMBL13163054 0.78 MAPT (0.49) MAPTALDH1A1CASP7CASP6POLB
SCHEMBL1559276 0.78 MAPT (0.53) MAPTALDH1A1CASP7CASP6NPC1
SCHEMBL19158730 0.76 PDE4D (0.59) PDE4DMAPTALDH1A1KDM4EPOLB
SCHEMBL5416309 0.75 PDE4D (0.50) PDE4DMAPTALDH1A1CASP7CASP6
SCHEMBL31367819 0.75 PDE4D (0.73) PDE4DMAPTALDH1A1KDM4EPOLB
SCHEMBL7814443 0.75 PDE4D (0.58) PDE4DMAPTALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090758-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2025-05-01 WO disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF ORFAN BIOTECH SL (ES) 2021-06-10 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PDE4D 4003/4885MAPT 126/4885ALDH1A1 3280/4885
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK PDE4D 1391/4885MAPT 4030/4885ALDH1A1 1296/4885
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 PDE4D 3599/4885MAPT 1807/4885ALDH1A1 1875/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PDE4D 4003/4885MAPT 126/4885ALDH1A1 3280/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK PDE4D 1391/4885MAPT 4030/4885ALDH1A1 1296/4885
US-20210171503-A1 GLYCOLATE OXIDASE INHIBITORS AND USE THEREOF PNPO, XDH, GLS PDE4D 1614/4885MAPT 2376/4885ALDH1A1 149/4885

“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.