SCHEMBL553649

SCHEMBL553649

Clc1cccc(C2CSCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 3/20 0.38
GSK3B P49841 2/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2331878 0.79 PRCP (0.40) ALDH1A1MAPTHPGDTSHRSLC6A3
SCHEMBL5542791 0.79 SLC6A2 (0.41) SLC6A3SLC6A2GSK3B
SCHEMBL5537125 0.77 HTR2C (0.50) ALDH1A1HTR2AHTR2CHTR2BMEN1
SCHEMBL26086367 0.77 HTR2C (0.50) GSK3BHTR2AHTR2CHTR2BMEN1
SCHEMBL29334460 0.76 MAPT (0.33) MAPT
SCHEMBL1072730 0.75 SLC6A3 (0.54) GID4MAPTSLC6A3SLC6A2HTR2A
SCHEMBL28533942 0.75 CHRNB2 (0.53) GID4ALDH1A1HPGDSLC6A3SLC6A2
SCHEMBL6178562 0.75 CHRNB2 (0.53) GID4ALDH1A1HPGDSLC6A3SLC6A2
SCHEMBL30617762 0.75 CHRNB2 (0.53) GID4ALDH1A1HPGDSLC6A3SLC6A2
SCHEMBL29450126 0.75 CHRNB2 (0.53) GID4ALDH1A1HPGDSLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 WO disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
CN-101247804-B chemical compound SMITHKLINE BEECHAM CORP 2012-09-26 CN disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GID4 1205/4885ALDH1A1 2634/4885MAPT 2603/4885
US-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 GID4 451/4885ALDH1A1 4634/4885MAPT 100/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA GID4 1205/4885ALDH1A1 2634/4885MAPT 2603/4885

“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.