SCHEMBL5020158

SCHEMBL5020158

N#Cc1ccc2cc(Br)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.59
BACE1 P56817 2/20 0.53
CYP2A6 P11509 1/20 0.39
TLR2 O60603 1/20 0.37
SOS2 Q07890 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
HPGDS O60760 1/20 0.36
PABPC1 P11940 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
TTR P02766 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL906662 0.77 NQO1 (0.59) NQO1BACE1SOS2KDM4EMEN1
SCHEMBL8002770 0.77 NQO1 (0.64) NQO1BACE1CYP2A6KDM4EMEN1
SCHEMBL28739915 0.77 NQO1 (0.59) NQO1BACE1CYP2A6SOS2KDM4E
SCHEMBL28168936 0.77 NQO1 (0.59) NQO1SOS2KDM4EALDH1A1MAPT
SCHEMBL12599791 0.77 NQO1 (0.59) NQO1SOS2KDM4EALDH1A1CYP1A2
SCHEMBL743391 0.77 NQO1 (0.59) NQO1BACE1CYP2A6SOS2KDM4E
SCHEMBL138949 0.77 NQO1 (0.59) NQO1SOS2KDM4EALDH1A1CYP1A2
SCHEMBL16881222 0.77 NQO1 (0.54) NQO1SOS2KDM4EMEN1ALDH1A1
SCHEMBL21880293 0.74 NQO1 (0.60) NQO1SOS2KDM4EMEN1ALDH1A1
SCHEMBL906879 0.74 NQO1 (1.00) NQO1CYP2A6KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 EP disclosed
WO-2024257966-A1 HIGH-REFRACTIVE-INDEX ORGANIC MATERIAL AND LIGHT-EMITTING DEVICE COMPRISING SAME 비피시 주식회사 2024-12-19 WO disclosed
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 CN disclosed
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed
CN-110256342-B Synthetic method of 2-cyano quinoline derivative 河南省科学院化学研究所有限公司 2022-06-07 CN disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
CN-112390755-A Method for heteroarylation of amine 中国科学院理化技术研究所 2021-02-23 CN disclosed
CN-111978248-A Multi-site modifiable aggregation-induced emission quinoline nitrile derivative, and preparation method and application thereof 华东理工大学 2020-11-24 CN disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
WO-2011075607-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
EP-1499319-B1 BICYCLO 4.4.0 ANTIVIRAL DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-12-05 EP 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 NQO1 4779/4885BACE1 778/4885CYP2A6 4664/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 NQO1 970/4885BACE1 3616/4885CYP2A6 1258/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NQO1 44/4885BACE1 172/4885CYP2A6 619/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 NQO1 4779/4885BACE1 778/4885CYP2A6 4664/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NQO1 44/4885BACE1 172/4885CYP2A6 619/4885

“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.