SCHEMBL5434824

SCHEMBL5434824

Clc1ccc(C2SCCCS2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR3A P46098 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
CYP2A6 P11509 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LIG1 P18858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL11612852 0.91 MAPT (0.50) MAPTHTR3APOLBKMT2ALMNA
SCHEMBL7632848 0.88 TSHR (0.44) MAPTTSHRPOLBKMT2ALMNA
SCHEMBL9778855 0.84 MAOB (0.49) MAPTLMNAKDM4EHTR2AALDH1A1
SCHEMBL9778594 0.80 MAOB (0.51) MAPTNPC1RAB9AALDH1A1
SCHEMBL6694368 0.77 NPC1 (0.44) MAPTTSHRPOLBMEN1KMT2A
SCHEMBL9271980 0.77 MAPT (0.47) MAPTTSHRPOLBKMT2ALMNA
SCHEMBL3240558 0.77 TSHR (0.42) MAPTTSHRPOLBMEN1KMT2A
SCHEMBL327401 0.77 ALDH1A1 (0.52) MAPTTSHRPOLBMEN1KMT2A
SCHEMBL2564135 0.77 MAPT (0.47) MAPTTSHRPOLBLMNACYP2A6
SCHEMBL5909370 0.77 POLB (0.50) MAPTTSHRPOLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504474-A Preparation method of phenyl ketone amide compound 淮北师范大学 2025-02-25 CN disclosed
CN-117603183-A 1,3-dithiane modified alpha, beta-unsaturated derivative and preparation method thereof 兰州大学 2024-02-27 CN disclosed
CN-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN disclosed
US-20230183167-A1 VISIBLE LIGHT ACTIVE BIOMASS DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
US-20230183167-A1 VISIBLE LIGHT ACTIVE BIOMASS DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2023-06-15 US disclosed
WO-2021236590-A2 VISIBLE LIGHT ACTIVE BIOMASS DERIVED PHOTOINITIATORS BOWLING GREEN STATE UNIVERSITY (US) 2021-11-25 WO disclosed
US-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
CN-1594245-A Application of ketene thioacetal derivatives as thioalcohol substituted reagent UNIV NORTHEAST NORMAL (CN) 2005-03-16 CN disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 US disclosed
EP-1373217-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS Beiersdorf AG (DE) 2004-01-02 EP disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 WO disclosed
US-5405866-A Administering with cytostatic drugs to treat drug resistant tumors HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5302727-A For use with antitumor agents HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
EP-0523493-A1 Dithianes F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
US-4127588-A Sulphur containing derivatives HOFFMANN-LA ROCHE INC. (US) 1978-11-28 US disclosed
US-4073797-A CORONARY DILATOR HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US disclosed
US-4003914-A DITHIANE AND DISULFONE CORONARY DILATING AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-01-18 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 (2 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-20230183167-A1 VISIBLE LIGHT ACTIVE BIOMASS DERIVED PHOTOINITIATORS BLVRB, GLB1, BTD MAPT 722/4885HTR3A 2665/4885TSHR 4759/4885
US-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR MAPT 4634/4885HTR3A 1516/4885TSHR 3343/4885

“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.