SCHEMBL6494787

SCHEMBL6494787

O=C(c1cccs1)c1ccc(C(=O)c2cccs2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.72
ALDH1A1 P00352 5/20 0.72
LMNA P02545 5/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
HSD17B10 Q99714 4/20 0.72
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
POLB P06746 2/20 0.72
MAPK1 P28482 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
TP53 P04637 1/20 0.72
GAA P10253 1/20 0.72
NFKB1 P19838 1/20 0.72
CASP1 P29466 1/20 0.72
CASP7 P55210 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
USP2 O75604 1/20 0.66

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
SCHEMBL182010 0.91 CES2 (0.71) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL7862027 0.85 ALDH1A1 (1.00) HPGDALDH1A1LMNAMEN1KMT2A
Cyclopentane SCHEMBL8081415 0.84 HPGDS (0.63) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL6793430 0.79 HPGDS (0.83) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL11532822 0.78 HPGD (0.73) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL9148337 0.77 LMNA (0.85) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL7870469 0.77 ALDH1A1 (0.89) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL826317 0.76
SCHEMBL158020 0.76 HPGDS (1.00) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL1066873 0.75 CES2 (1.00) HPGDALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852458-B2 Electrophotographic photoreceptor, and electrophotographic apparatus using the same FUJI ELECTRIC IMAGING DEVICE CO., LTD. (JP) 2005-02-08 US disclosed
US-6825359-B2 USEFUL AS AN ELECTRON TRANSPORT SUBSTANCE IN AN ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ORGANIC ELECTROLUMINESENCE (EL) DEVICE FUJI ELECTRIC IMAGING DEVICE CO., LTD. (JP) 2004-11-30 US disclosed
US-20030219664-A1 Electrophotographic photoreceptor, and electrophotographic apparatus using the same FUJI ELECTRIC IMAGING DEVICE CO., LTD. (JP) 2003-11-27 US disclosed
US-20030195359-A1 Quinomethane compounds FUJI ELECTRIC IMAGING DEVICE CO., LTD. (JP) 2003-10-16 US disclosed
US-5420224-A Films and fibers with benzoxazole groups THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-05-30 US disclosed
US-5354836-A Polyarylene ether ketone, where at least one ring of the aromatic ketone unit is a thiophene ring THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-10-11 US disclosed
US-5266677-A Aromatic polyamides UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1993-11-30 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 (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-20030195359-A1 Quinomethane compounds ALDH1A2, NR2E3, CRY1 HPGD 2144/4885ALDH1A1 36/4885LMNA 3236/4885

“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.