SCHEMBL3208591

SCHEMBL3208591

O=Cc1c[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.57
BACE1 P56817 2/20 0.55
ERN1 O75460 1/20 0.50
IMPDH2 P12268 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL29956050 1.00 CYP2A6 (0.57) CYP2A6BACE1ERN1IMPDH2TDP1
SCHEMBL27148984 0.77 CLK1 (0.44) CYP2A6BACE1ERN1TDP1GAA
SCHEMBL29952428 0.77 CYP2A6 (0.70) CYP2A6ERN1IMPDH2TDP1KMT2A
SCHEMBL28784022 0.77 CLK1 (0.46) BACE1TDP1GAAKMT2AMEN1
SCHEMBL1943316 0.77 CLK1 (0.46) BACE1TDP1GAAKMT2AMEN1
SCHEMBL6583553 0.77 CLK1 (0.46) BACE1TDP1GAAKMT2AMEN1
SCHEMBL395905 0.77 TDP1 (0.50) BACE1TDP1GAAKMT2AMEN1
SCHEMBL29811443 0.77 TDP1 (0.50) BACE1TDP1GAAKMT2AMEN1
SCHEMBL3786029 0.77 CLK1 (0.46) CYP2A6BACE1TDP1GAAKMT2A
SCHEMBL29236563 0.77 CLK1 (0.55) BACE1TDP1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 US disclosed
US-20240002405-A1 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2024-01-04 US disclosed
WO-2023235782-A2 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2023-12-07 WO disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 US disclosed
EP-3166924-B1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2019-02-20 EP disclosed
EP-3148997-B1 HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2018-06-27 EP disclosed
US-9974785-B2 Aromatic heterocyclic derivatives and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-05-22 US disclosed
US-9932339-B2 Helquats with heteroaromatic substituents, preparation thereof, and use thereof as G-quadruplex stabilizers USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CY) 2018-04-03 US disclosed
EP-3166924-A1 AROMATIC HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-05-17 EP disclosed
US-20170096433-A1 HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-04-06 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS ILLUMINA, INC. 2015-01-29 US disclosed
US-8883764-B1 Formylpyrrole-based heterocycles for nucleic acid attachment to supports ILLUMINA, INC. (US) 2014-11-11 US disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 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 (6 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 CYP2A6 3242/4885BACE1 1/4885ERN1 2254/4885
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CYP2A6 2283/4885BACE1 742/4885ERN1 2224/4885
US-20150031833-A1 FORMYLPYRROLE-BASED HETEROCYCLES FOR NUCLEIC ACID ATTACHMENT TO SUPPORTS CCNY, FBL, NSUN2 CYP2A6 2469/4885BACE1 4460/4885ERN1 2367/4885
US-20170096433-A1 HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS H1-2, H1-3, H1-0 CYP2A6 911/4885BACE1 3319/4885ERN1 2798/4885
US-20240002405-A1 ANTIMICROBIAL COMPOUNDS, SYNTHESIS METHODS, AND USES THEREOF NOD2, MPO, LSS CYP2A6 1750/4885BACE1 854/4885ERN1 1466/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CYP2A6 2283/4885BACE1 742/4885ERN1 2224/4885

“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.