SCHEMBL2965652

SCHEMBL2965652

[c]1cccc(-c2ccccc2)c1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.39
METAP2 P50579 1/20 0.39
EGFR P00533 4/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL18905 0.80 POLB (0.55) S100A4POLBHSD17B10L3MBTL1HTT
SCHEMBL15842809 0.80 L3MBTL1 (0.39) S100A4METAP2EGFRPOLBHSD17B10
SCHEMBL1247110 0.80 TDP1 (0.40) S100A4POLBHSD17B10TDP1HTT
SCHEMBL6469994 0.79 RAB9A (0.49) POLBHSD17B10HTTNPC1RAB9A
SCHEMBL17438712 0.79 RAB9A (0.47) S100A4HTTNPC1RAB9ASMN1; SMN2
SCHEMBL1707607 0.77 RAB9A (0.41) S100A4METAP2EGFRPOLBHSD17B10
SCHEMBL18230395 0.77 POLB (0.56) EGFRPOLBHSD17B10HTTNPC1
SCHEMBL17438680 0.76 S100A4 (0.38) S100A4EGFRPOLBHSD17B10TDP1
SCHEMBL6981693 0.76 LMNA (0.39) POLBL3MBTL1TDP1HTTNPC1
SCHEMBL1724293 0.75 ELANE (0.35) S100A4EGFRPOLBHSD17B10TDP1

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
WO-2024117767-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-06-06 WO claimed
CN-113039183-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2021-06-25 CN claimed
WO-2024117767-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-06-06 WO disclosed
CN-113039183-B Novel compound and organic light emitting device comprising the same 株式会社LG化学 2024-02-02 CN disclosed
CN-113039183-A Novel compound and organic light emitting device comprising same 株式会社LG化学 2021-06-25 CN disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A S100A4 4398/4885METAP2 3806/4885EGFR 2423/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A S100A4 4398/4885METAP2 3806/4885EGFR 2423/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A S100A4 4398/4885METAP2 3806/4885EGFR 2423/4885

“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.