SCHEMBL3087744

SCHEMBL3087744

Oc1ccc(C[S])c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.59
EP300 Q09472 2/20 0.46
KAT2B Q92831 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LDHA P00338 1/20 0.41
PAX8 Q06710 1/20 0.40
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.39
APP P05067 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SNCA P37840 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29357437 0.86 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL1397170 0.86 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL1978342 0.82 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4612497 0.81 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3165277 0.78 PAX8 (0.62) IDO1PAX8HPGDALOX15HSD17B10
SCHEMBL3087747 0.77 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL16158957 0.77 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3082795 0.77 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL12333575 0.77 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3955098 0.77 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 IDO1 3192/4885EP300 2901/4885KAT2B 2930/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 IDO1 192/4885EP300 2987/4885KAT2B 2379/4885

“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.