SCHEMBL366012

SCHEMBL366012

O=[N+]([O-])c1ccc2ncccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 7/20 0.55
RAB9A P51151 4/20 0.55
HTT P42858 4/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
CASP6 P55212 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 2/20 0.50
BAZ1A Q9NRL2 1/20 0.50
METAP1 P53582 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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 SCHEMBL27777765 0.98 ALDH1A1 (0.60) ALDH1A1MAPTRAB9AHTTNPC1
Quinoline SCHEMBL9110133 0.95 ALDH1A1 (0.66) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL27680597 0.92 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AHTTNPC1
Selenium SCHEMBL10539506 0.92 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL30626616 0.86 BAZ1A (0.60) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL1012937 0.86 BAZ1A (0.60) ALDH1A1MAPTRAB9AHTTNPC1
Quinoline SCHEMBL28125811 0.85 ALDH1A1 (0.57) ALDH1A1MAPTRAB9AHTTNPC1
Hydrochloric Acid SCHEMBL27777744 0.84 BAZ1A (0.59) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL9800709 0.83 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AHTTNPC1
SCHEMBL18356023 0.83 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115155640-B Molybdenum catalyst, catalytic composition and application thereof in preparation of amine compounds 海南华瑞医药有限公司 2023-09-05 CN claimed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
CN-110229102-A 2- is alkylated quinoline, derivative and its synthetic method 湘潭大学 2019-09-13 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
WO-1999028289-A1 METHOD FOR PRODUCING ORGANIC HYDROXYLAMINES Consortium für elektrochemische Industrie GmbH (DE) 1999-06-10 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO 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-0334148-A2 Hetaryl-1,10-phenanthroline derivatives BAYER AG (DE) 1989-09-27 EP claimed
EP-0287317-A2 Platinum complexes with one radiosensitizing ligand THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1988-10-19 EP 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
US-4148611-A IN BODY FLUIDS; NITROQUINOLINE POTENTIATOR MILES LABORATORIES, INC. (US) 1979-04-10 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 ALDH1A1 4757/4885MAPT 150/4885RAB9A 1863/4885

“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.