SCHEMBL3322880

SCHEMBL3322880

C=Cc1ccc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 1/20 0.38
BACE1 P56817 2/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ERN1 O75460 1/20 0.35
AHR P35869 2/20 0.34
NR4A2 P43354 1/20 0.34
RELA Q04206 1/20 0.34
TRPA1 O75762 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 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
SCHEMBL2049049 0.93 CYP2A6 (0.48) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2097335 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29434184 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5930707 0.81 CYP2A6 (0.54) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5930710 0.81 CYP2A6 (0.54) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28366291 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29434157 0.78 ALDH1A1 (0.56) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2098638 0.78 ALDH1A1 (0.56) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3156949 0.77 RELA (0.54) CYP2A6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30343618 0.77 ALDH1A1 (0.56) CYP2A6ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166324-B Thermosetting resin composition 日产化学株式会社 2024-11-22 CN claimed
US-7145005-B2 2-(6-{2-[(2R)-2-Methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBOTT LABORATORIES (US) 2006-12-05 US claimed
US-20050256127-A1 2-(6-{2-[(2R)-2-methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBVIE INC. 2005-11-17 US claimed
US-20250224645-A1 ELECTROPHORETIC MEDIUM COMPRISING PARTICLES HAVING A PIGMENT CORE AND A POLYMERIC SHELL E INK CORPORATION 2025-07-10 US disclosed
CN-113166324-B Thermosetting resin composition 日产化学株式会社 2024-11-22 CN disclosed
WO-2023215514-A2 BIOLUMINESCENCE-TRIGGERED PHOTOCATALYTIC LABELING PROMEGA CORPORATION (US) 2023-11-09 WO disclosed
CN-115197053-B Dihalocyclopropane derivative capable of releasing acid as well as preparation method and application thereof 中山大学 2023-08-22 CN disclosed
CN-115197053-A Dihalogen cyclopropane derivative capable of releasing acid and preparation method and application thereof 中山大学 2022-10-18 CN disclosed
CN-113166324-A Thermosetting resin composition 日产化学株式会社 2021-07-23 CN disclosed
EP-3752571-A1 OIL BINDER SUMTEQ GmbH (DE) 2020-12-23 EP disclosed
US-20200354220-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2020-11-12 US disclosed
US-20130119355-A1 STYRYL-BASED COMPOUND, COMPOSITION CONTAINING STYRYL-BASED COMPOUND, AND ORGANIC LIGHT EMITTING DIODE INCLUDING STYRYL-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2013-05-16 US disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 WO disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
CN-101679237-A The method of preparation (R)-2-crassitude and (S)-2-crassitude and tartrate thereof CEPHALON INC 2010-03-24 CN disclosed
EP-2152669-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF Cephalon, Inc. (US) 2010-02-17 EP disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 WO disclosed
WO-2008137087-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2008-11-13 WO disclosed
US-7145005-B2 2-(6-{2-[(2R)-2-Methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBOTT LABORATORIES (US) 2006-12-05 US disclosed
US-20050256127-A1 2-(6-{2-[(2R)-2-methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBVIE INC. 2005-11-17 US 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 (3 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-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR CYP2A6 1350/4885ALDH1A1 1386/4885MEN1 2694/4885
US-20050256127-A1 2-(6-{2-[(2R)-2-methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2J2, NUP188 CYP2A6 238/4885ALDH1A1 2085/4885MEN1 2394/4885
US-20130119355-A1 STYRYL-BASED COMPOUND, COMPOSITION CONTAINING STYRYL-BASED COMPOUND, AND ORGANIC LIGHT EMITTING DIODE INCLUDING STYRYL-BASED COMPOUND OCIAD1, MAP1LC3B, ELOVL1 CYP2A6 2305/4885ALDH1A1 87/4885MEN1 3869/4885

“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.