SCHEMBL2454469

SCHEMBL2454469

CC(C)(C)OC(=O)n1cc(C=O)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
PTGER4 P35408 1/20 0.36
PRKCA P17252 2/20 0.36
PRKCE Q02156 2/20 0.36
RASGRP3 Q8IV61 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ERN1 O75460 2/20 0.36
POLH Q9Y253 1/20 0.35
PTPN1 P18031 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL626504 0.90 ACHE (0.41) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL29443989 0.90 ACHE (0.41) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL15902182 0.87 HTR6 (0.46) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL29443980 0.87 HTR6 (0.46) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL7715925 0.85 HTR6 (0.44) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL2461044 0.85 ALDH1A1 (0.55) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL29957304 0.84 HTR6 (0.46) HTR6ACHEMEN1KMT2AL3MBTL1
SCHEMBL29443995 0.84 ALDH1A1 (0.48) HTR6ACHEMEN1KMT2AALDH1A1
SCHEMBL4376044 0.84 ALDH1A1 (0.48) HTR6ACHEMEN1KMT2AALDH1A1
SCHEMBL16729466 0.82 MAP2K4 (0.44) HTR6ACHEMEN1KMT2AL3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
CN-113480537-B Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2022-05-10 CN disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
CN-113480537-A Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2021-10-08 CN disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 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 (7 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX HTR6 3133/4885ACHE 181/4885MEN1 3282/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 HTR6 4427/4885ACHE 4111/4885MEN1 3390/4885

“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.