SCHEMBL138949

SCHEMBL138949

N#Cc1ccc2cc(O)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.59
TTR P02766 4/20 0.55
ESR2 Q92731 6/20 0.50
ESR1 P03372 5/20 0.50
SOS2 Q07890 1/20 0.44
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
CYP1A2 P05177 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.38
PFKFB3 Q16875 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MIF P14174 1/20 0.37
CA9 Q16790 1/20 0.37
CTSB P07858 1/20 0.36

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
SCHEMBL11038799 0.86 NQO1 (0.47) NQO1TTRESR2ESR1SOS2
SCHEMBL5020158 0.77 NQO1 (0.59) NQO1TTRSOS2CYP1A2KDM4E
SCHEMBL8002770 0.77 NQO1 (0.64) NQO1TTRCYP1A2KDM4EALDH1A1
SCHEMBL12599791 0.77 NQO1 (0.59) NQO1TTRSOS2CYP1A2KDM4E
SCHEMBL28739915 0.77 NQO1 (0.59) NQO1TTRSOS2CYP1A2KDM4E
SCHEMBL743391 0.77 NQO1 (0.59) NQO1SOS2KDM4EPDE3BPDE3A
SCHEMBL906662 0.77 NQO1 (0.59) NQO1TTRSOS2KDM4EALDH1A1
SCHEMBL28168936 0.77 NQO1 (0.59) NQO1TTRSOS2CYP1A2KDM4E
SCHEMBL16936288 0.77 NQO1 (0.54) NQO1TTRSOS2KDM4EALDH1A1
SCHEMBL17442633 0.77 NQO1 (0.54) NQO1TTRSOS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 EP claimed
US-9642922-B2 Caspase-triggered nano-aggregation probes and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-05-09 US claimed
US-20150056137-A1 CASPASE-TRIGGERED NANO-AGGREGATION PROBES AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-02-26 US claimed
EP-4748400-A1 CONJUGATE FOR ANTIGEN DELIVERY AND USE THEREOF LG Chem, Ltd. (KR) 2026-05-27 EP disclosed
EP-4543457-A1 ENTRY-MODULATING AGENTS AND USES THEREFOR Griffith University (AU) 2025-04-30 EP disclosed
CN-119386001-A Pharmaceutical compositions containing PEITC and their use in the treatment of cancer 无锡杰西医药股份有限公司 2025-02-07 CN disclosed
WO-2025028960-A1 CONJUGATE FOR ANTIGEN DELIVERY AND USE THEREOF 주식회사 엘지화학 2025-02-06 WO disclosed
US-12012394-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2024-06-18 US disclosed
US-20240042068-A1 CASPASE-3-TRIGGERED MOLECULAR SELF-ASSEMBLING PET PROBES AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-02-08 US disclosed
WO-2023245258-A1 ENTRY-MODULATING AGENTS AND USES THEREFOR GRIFFITH UNIVERSITY (AU) 2023-12-28 WO disclosed
US-20230390268-A1 METHOD FOR TREATING VIRAL INFECTIONS USING ASK1 INHIBITORS MCMASTER UNIVERSITY (CA) 2023-12-07 US disclosed
EP-1935986-A2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-06-25 EP disclosed
EP-1885875-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2008-02-13 EP disclosed
EP-1499319-B1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-12-05 EP disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US disclosed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 WO disclosed
EP-0124577-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-14 EP disclosed
WO-1984001947-A1 NEW CHELATE FORMING QUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 WO 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 (5 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-20230390268-A1 METHOD FOR TREATING VIRAL INFECTIONS USING ASK1 INHIBITORS IRAK1, EIF2AK2, ZC3HAV1 NQO1 4277/4885TTR 2578/4885ESR2 3333/4885
US-20150056137-A1 CASPASE-TRIGGERED NANO-AGGREGATION PROBES AND METHODS OF USE CASP3, CASP7, CASP2 NQO1 953/4885TTR 1504/4885ESR2 4295/4885
US-20240042068-A1 CASPASE-3-TRIGGERED MOLECULAR SELF-ASSEMBLING PET PROBES AND USES THEREOF CASP3, CASP14, CASP6 NQO1 3529/4885TTR 2542/4885ESR2 3506/4885
US-12012394-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 NQO1 909/4885TTR 747/4885ESR2 3992/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD NQO1 516/4885TTR 2786/4885ESR2 1953/4885

“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.