SCHEMBL538895

SCHEMBL538895

O=[N+]([O-])c1ccnc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
CYP1A2 P05177 2/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CTSB P07858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL30531716 0.98 POLB (0.74) POLBNCOA1NCOA3CYP1A2TSHR
Quinoline SCHEMBL28245218 0.90 POLB (0.73) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL29611471 0.87 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL29750649 0.87 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL827685 0.87 POLB (1.00) POLBNCOA1NCOA3CYP1A2TSHR
Hydrochloric Acid SCHEMBL7950313 0.85 POLB (0.96) POLBNCOA1NCOA3CYP1A2TSHR
Quinoline SCHEMBL9110913 0.83 POLB (0.84) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL8924368 0.83 POLB (0.55) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL11766903 0.80 NCOA1 (0.68) POLBNCOA1NCOA3CYP1A2TSHR
Selenium SCHEMBL10543234 0.80 POLB (0.84) 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 257 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120032751-A Method for obtaining effect trigger value of in-vitro genotoxicity test of water environment sample and application thereof 中国科学院生态环境研究中心 2025-05-23 CN claimed
EP-4496889-A1 METHOD FOR DETECTING THE MUTAGENIC CHARACTER OF CHEMICAL COMPOUNDS Genevolution (FR) 2025-01-29 EP claimed
WO-2023180209-A1 METHOD FOR DETECTING THE MUTAGENIC CHARACTER OF CHEMICAL COMPOUNDS GENEVOLUTION (FR) 2023-09-28 WO claimed
EP-3199630-B1 CONTINUOUS DIRECTED EVOLUTION OF PROTEINS AND NUCLEIC ACIDS HARVARD COLLEGE (US) 2019-05-08 EP claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
EP-2904406-B1 METHOD FOR MEASURING ATR INHIBITION MEDIATED INCREASES IN DNA DAMAGE VERTEX PHARMA (US) 2018-03-21 EP claimed
US-20170298444-A1 METHODS FOR PREDICTING THE RISK OF DEVELOPING BREAST CANCER DANA-FARBER CANCER INSTITUTE, INC. 2017-10-19 US claimed
US-9791456-B2 Method for measuring ATR inhibition mediated increases in DNA damage VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-17 US claimed
EP-3198277-A1 METHODS FOR PREDICTING THE RISK OF DEVELOPING BREAST CANCER Dana Farber Cancer Institute, Inc. (US) 2017-08-02 EP claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
EP-2904406-A1 METHOD FOR MEASURING ATR INHIBITION MEDIATED INCREASES IN DNA DAMAGE Vertex Pharmaceuticals Incorporated (US) 2015-08-12 EP claimed
US-8999632-B2 Method for measuring ATR inhibition mediated increases in DNA damage VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-07 US claimed
US-20140134596-A1 Method for Measuring ATR Inhibition mediated increases in DNA damage VERTEX PHARMACEUTICALS INCORPORATED 2014-05-15 US claimed
WO-2014055756-A1 METHOD FOR MEASURING ATR INHIBITION MEDIATED INCREASES IN DNA DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-10 WO claimed
EP-1921157-B1 Processes for detecting toxic substances DAIKIN IND LTD (JP) 2010-05-26 EP claimed
EP-1045899-A2 METHOD OF DETERMINING THE FUNCTION OF NUCLEOTIDE SEQUENCES AND THE PROTEINS THEY ENCODE BY TRANSFECTING THE SAME INTO A HOST Biosource Technologies, Inc. (US) 2000-10-25 EP claimed
WO-1999036516-A2 METHOD OF DETERMINING THE FUNCTION OF NUCLEOTIDE SEQUENCES AND THE PROTEINS THEY ENCODE BY TRANSFECTING THE SAME INTO A HOST BIOSOURCE TECHNOLOGIES, INC. (US) 1999-07-22 WO claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
EP-0576622-B1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK CO (US) 1997-11-05 EP claimed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP 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.