SCHEMBL3087927

SCHEMBL3087927

O=C(CCl)c1csc(-c2cccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.54
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL27605119 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1KDM4ELMNAGAA
SCHEMBL27824524 0.77 HPGDS (0.51) ALDH1A1MAPK1KDM4ELMNAGAA
SCHEMBL23802631 0.75 KDM4E (0.49) ALDH1A1MAPK1KDM4ELMNAGAA
SCHEMBL8572921 0.73 ALDH1A1 (0.63) GSK3BALDH1A1MAPK1KDM4ELMNA
SCHEMBL8571740 0.72 ALDH1A1 (0.61) GSK3BALDH1A1MAPK1KDM4ELMNA
SCHEMBL6789226 0.71 GSK3B (1.00) GSK3BALDH1A1MAPK1TRPA1HIF1A
SCHEMBL230036 0.69
SCHEMBL27824515 0.69 RPS6KB2 (0.44) ALDH1A1MAPK1KDM4ELMNAGAA
SCHEMBL27549863 0.68 LTA4H (0.48) GSK3BALDH1A1KDM4E
SCHEMBL22733865 0.66 KCNH2 (0.48) ALDH1A1KDM4EL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691586-B1 CHARGE-TRANSPORTING ORGANIC MATERIAL CONTAINING COMPOUND HAVING 1,4-DITHIIN RING NISSAN CHEMICAL IND LTD (JP) 2015-10-14 EP disclosed
US-7795452-B2 Charge-transporting organic material containing compound having 1,4-dithiin ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
EP-1691586-A1 CHARGE-TRANSPORTING ORGANIC MATERIAL CONTAINING COMPOUND HAVING 1,4-DITHIIN RING Nissan Chemical Industries, Ltd. (JP) 2006-08-16 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 (1 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-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring SLCO2A1, SLCO4C1, VIL1 GSK3B 4350/4885ALDH1A1 849/4885MAPK1 2202/4885

“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.