SCHEMBL949962

SCHEMBL949962

O=[N+]([O-])c1cccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 1.00
HSP90AA1 P07900 1/20 0.63
HSP90AB1 P08238 1/20 0.63
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
ALDH1A1 P00352 8/20 0.60
MAPT P10636 7/20 0.60
TDP1 Q9NUW8 4/20 0.60
GAA P10253 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MDM4 O15151 1/20 0.57
NFKBIA P25963 1/20 0.57
OPRK1 P41145 1/20 0.57
MDM2 Q00987 1/20 0.57

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
Hydrochloric Acid SCHEMBL7965424 0.98 PDE10A (0.96) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL27680601 0.92 PDE10A (0.84) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
Selenium SCHEMBL10543064 0.92 PDE10A (0.84) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
Quinoline SCHEMBL9110228 0.90 PDE10A (0.81) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
Glycerin SCHEMBL28264475 0.86 PDE10A (0.74) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL18416514 0.86 PDE10A (0.75) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL17997972 0.84 PDE10A (0.73) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL10204048 0.83 PDE10A (0.71) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL32679860 0.81 PDE10A (0.67) PDE10AHSP90AA1HSP90AB1RAB9ANPC1
SCHEMBL9447085 0.81 MEN1 (0.74) PDE10ARAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117926263-A Binary compound corrosion inhibitor and preparation method and application thereof 上海电力大学 2024-04-26 CN claimed
CN-117205211-B Application of quinoline compound in preparation of fish parasitic protozoan resisting medicine 西北农林科技大学深圳研究院 2024-04-05 CN claimed
CN-117205211-A Application of quinoline compound in preparation of fish parasitic protozoan resisting medicine 西北农林科技大学深圳研究院 2023-12-12 CN claimed
CN-116783722-A Electrochemical cell, assembly thereof and method of making same 阿尔西姆能源公司 2023-09-19 CN claimed
CN-114875409-B Circuit board microetching roughening liquid circulation regeneration additive and application thereof 深圳市板明科技股份有限公司 2023-09-01 CN claimed
EP-4211732-A1 ELECTROCHEMICAL CELLS, COMPONENTS THEREOF, AND METHODS OF THEIR MANUFACTURE Alsym Energy, Inc. (US) 2023-07-19 EP claimed
CN-114875409-A Circuit board microetching coarsening liquid recycling additive and application thereof 深圳市板明科技股份有限公司 2022-08-09 CN claimed
WO-2022055968-A1 ELECTROCHEMICAL CELLS, COMPONENTS THEREOF, AND METHODS OF THEIR MANUFACTURE EVERON24, INC. (US) 2022-03-17 WO claimed
CN-107739309-B Double-carbonylation preparation method of palladium-catalyzed acetylene 中国成达工程有限公司 2020-08-28 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-1998033773-A1 SEPARATION OF 5-NITROQUINOLINE AND 8-NITROQUINOLINE ELI LILLY AND COMPANY (US) 1998-08-06 WO claimed
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-4962198-A Process for the hydroxylation of electrophilic aromatic compounds BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US claimed
EP-0334148-A2 Hetaryl-1,10-phenanthroline derivatives BAYER AG (DE) 1989-09-27 EP claimed
US-4681814-A COMPLEX FORMING ORGANIC COMPOUND SURFACE LAYER LEHIGH UNIVERSITY (US) 1987-07-21 US claimed
US-4563253-A COMPLEXING ORGANIC COMPOUND WITH THIN OXIDE LAYER LEHIGH UNIVERSITY (US) 1986-01-07 US claimed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR PDE10A 2576/4885HSP90AA1 4250/4885HSP90AB1 4680/4885

“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.