SCHEMBL827685

SCHEMBL827685

O=[N+]([O-])c1cccc2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
NCOA1 Q15788 1/20 0.78
NCOA3 Q9Y6Q9 1/20 0.78
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 3/20 0.61
PDE10A Q9Y233 1/20 0.56
ALDH1A1 P00352 8/20 0.56
MAPT P10636 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
CTSB P07858 2/20 0.54
NPC1 O15118 1/20 0.54
BRD4 O60885 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54

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
SCHEMBL29750649 1.00 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL29611471 1.00 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
Hydrochloric Acid SCHEMBL7950313 0.98 POLB (0.96) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL27699875 0.92 POLB (0.84) POLBNCOA1NCOA3CYP1A2TSHR
Quinoline SCHEMBL9110913 0.92 POLB (0.84) POLBNCOA1NCOA3CYP1A2TSHR
Selenium SCHEMBL10543234 0.92 POLB (0.84) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL538895 0.87 POLB (0.77) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL30531716 0.85 POLB (0.74) POLBNCOA1NCOA3CYP1A2TSHR
Quinoline SCHEMBL28245218 0.85 POLB (0.73) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL11766903 0.78 NCOA1 (0.68) POLBNCOA1NCOA3CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105984-B Method for preparing indolizine type corrosion inhibitor 中国石油大学(华东) 2023-08-25 CN claimed
CN-115943072-A Gas activated cyanoacrylates for 3D printing 汉高股份有限及两合公司 2023-04-07 CN claimed
CN-113292468-B Preparation method of all-trans beta-carotene 万华化学集团股份有限公司 2022-11-08 CN claimed
CN-114105984-A Preparation method of indolizine corrosion inhibitor 中国石油大学(华东) 2022-03-01 CN claimed
US-20220002576-A1 GAS-ACTIVATED CYANOACRYLATES FOR 3-D PRINTING HENKEL AG & CO KGAA (DE) 2022-01-06 US claimed
CN-113292468-A Preparation method of all-trans beta-carotene 万华化学集团股份有限公司 2021-08-24 CN claimed
WO-2020187548-A1 GAS-ACTIVATED CYANOACRYLATES FOR 3D-PRINTING HENKEL AG & CO. KGAA (DE) 2020-09-24 WO claimed
EP-3708370-A1 3D-PRINTING METHOD USING GAS-ACTIVATED CYANOACRYLATES Henkel AG & Co. KGaA (DE) 2020-09-16 EP claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
EP-3144072-A1 DISPENSER, KIT AND METHOD FOR APPLYING AN ACTIVATOR FOR A CURABLE CYANOACRYLATE-BASED COMPONENT Henkel AG & Co. KGaA (DE) 2017-03-22 EP claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (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
EP-0256971-B1 COLOUR RIBBON FOR DYE TRANSFER BY HEAT REACTION SIEMENS AKTIENGESELLSCHAFT (DE) 1990-05-02 EP claimed
EP-0287317-A2 Platinum complexes with one radiosensitizing ligand THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1988-10-19 EP claimed
US-4756633-A Inking ribbon including a sublimable release layer for color transfer under the influence of heat DREES FRIEDRICH WILHELM (DE) 1988-07-12 US claimed
EP-0256971-A1 Colour ribbon for dye transfer by heat reaction SIEMENS AKTIENGESELLSCHAFT (DE) 1988-02-24 EP claimed
US-4455364-A ETCHING RESISTANCE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-06-19 US claimed
US-4189556-A POLYMERIZING ALPHA-OLEFINS USING A TRANSITION METAL HALIDE-ALUMINUM ALKYL CATALYST, SUBSTITUTED PYRIDINES, QUINOLINES, OR N-OXIDE PYRIDINES STANDARD OIL COMPANY (INDIANA) (US) 1980-02-19 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 POLB 1829/4885NCOA1 2446/4885NCOA3 2537/4885

“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.