SCHEMBL305885

SCHEMBL305885

O=Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 2/20 0.46
ERN1 O75460 1/20 0.44
LMNA P02545 3/20 0.44
PAX8 Q06710 1/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CTSB P07858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL29953235 1.00 PDE10A (0.53) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1990900 0.83 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL9000299 0.81 PDE10A (0.54) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL4798356 0.81 ALDH1A1 (0.64) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8561898 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1092487 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1092129 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8561899 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL13351976 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1092131 0.80 PDE10A (0.49) PDE10APOLBALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206544-A Small molecule inhibitor acting on PARP1 and preparation method thereof 上海傲图智药生物医药有限公司 2024-06-18 CN claimed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO claimed
EP-4713313-A2 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD Springworks Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2025066935-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-04-03 WO disclosed
US-20240417398-A1 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. 2024-12-19 US disclosed
WO-2024238763-A2 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
CN-115611894-B Nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 心远(广州)药物研究有限公司 2024-07-02 CN disclosed
CN-118206544-A Small molecule inhibitor acting on PARP1 and preparation method thereof 上海傲图智药生物医药有限公司 2024-06-18 CN disclosed
US-20240158416-A1 FUSED DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUMITOMO PHARMA AMERICA, INC. (US) 2024-05-16 US disclosed
CN-115611901-B Azepine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 华南理工大学 2024-04-30 CN disclosed
WO-2024026536-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-02-08 WO disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 US disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 US disclosed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 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-20240417398-A1 TETRAHYDRONAPTHYRIDINE AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 PDE10A 3629/4885POLB 2679/4885ALDH1A1 3016/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 PDE10A 1508/4885POLB 2246/4885ALDH1A1 1755/4885
US-20240158416-A1 FUSED DIHYDRO-4H-PYRAZOLO[5,1-C][1,4]OXAZINYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS GRIN2C, GRIK4, GRIK5 PDE10A 1141/4885POLB 4236/4885ALDH1A1 199/4885

“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.