SCHEMBL262142

SCHEMBL262142

c1csc(-c2nnco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
RAB9A P51151 8/20 0.49
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 6/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
NOTUM Q6P988 6/20 0.48
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
BCAT1 P54687 1/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.41

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
Methane SCHEMBL28278088 0.98 KDM4E (0.47) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
Thiophene SCHEMBL9063467 0.93 KDM4E (0.44) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL13762461 0.74 KDM4E (0.70) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12906161 0.69 NOTUM (0.59) KDM4EALDH1A1HPGDNOTUMMAPT
SCHEMBL8870884 0.68 NOTUM (0.50) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL7058937 0.68 KDM4E (0.67) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL22471879 0.68 ATAD2 (0.61) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL4897 0.68 ALDH1A1 (0.49) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL9454334 0.67 ALDH1A1 (0.44) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL1272658 0.67 KDM4E (0.56) KDM4ERAB9AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884682-B2 Compounds and their uses as MIF inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2024-01-30 US claimed
CN-109293650-A Using DMF as one step of carbon source construct 2-(2- thienyl) -1,3,4- oxadiazoles method 桂林理工大学 2019-02-01 CN claimed
CN-115850241-B Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2025-01-14 CN disclosed
CN-119161335-A Azole derivative containing double bond structure and application thereof 沈阳药科大学 2024-12-20 CN disclosed
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-28 US disclosed
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 CN disclosed
CN-115850241-A Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2023-03-28 CN disclosed
CN-109293650-A Using DMF as one step of carbon source construct 2-(2- thienyl) -1,3,4- oxadiazoles method 桂林理工大学 2019-02-01 CN disclosed
CN-109293650-A Using DMF as one step of carbon source construct 2-(2- thienyl) -1,3,4- oxadiazoles method 桂林理工大学 2019-02-01 CN disclosed
CN-109293650-A Using DMF as one step of carbon source construct 2-(2- thienyl) -1,3,4- oxadiazoles method 桂林理工大学 2019-02-01 CN disclosed
EP-1976512-B1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
CN-101528726-A Thiophene derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2009-09-09 CN disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO disclosed
EP-2069322-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-1976512-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-10-08 EP disclosed
WO-2008029306-A2 THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
CN-101014594-A Piperidine derivatives as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-08-08 CN disclosed
WO-2007080542-A1 NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-07-19 WO disclosed
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN disclosed
EP-0003960-B1 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-06-29 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 (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-11884682-B2 Compounds and their uses as MIF inhibitors MIF, CCL11, CCL2 KDM4E 2841/4885RAB9A 3018/4885ALDH1A1 657/4885
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF FAAH, FAAH2, FAH KDM4E 1478/4885RAB9A 287/4885ALDH1A1 427/4885

“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.