SCHEMBL1176809

SCHEMBL1176809

CC(C)(C)c1ccc(NC=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.49
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 4/20 0.36
TSHR P16473 2/20 0.35
PSD A5PKW4 1/20 0.33
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
KIF11 P52732 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2B Q92831 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM5A P29375 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL11537315 0.82 PABPC1 (0.64) PABPC1ALDH1A1MAPTIDO1TSHR
SCHEMBL1176516 0.78 CETP (0.49) PABPC1ALDH1A1MAPTIDO1RXFP1
SCHEMBL2092044 0.77 TSHR (0.43) PABPC1ALDH1A1MAPTMAPK1NPSR1
SCHEMBL1177169 0.77 PABPC1 (0.44) PABPC1ALDH1A1MAPTMAPK1NPSR1
SCHEMBL19194161 0.76 IDO1 (0.61) ALDH1A1IDO1TSHRPSDGAA
SCHEMBL5517816 0.76 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1IDO1TSHR
SCHEMBL1176808 0.75 IDO1 (0.36) ALDH1A1IDO1TSHRPSDGAA
SCHEMBL15453221 0.74 PABPC1 (0.59) PABPC1ALDH1A1MAPTTSHRGAA
SCHEMBL29506423 0.74 PABPC1 (0.59) PABPC1ALDH1A1MAPTTSHRGAA
SCHEMBL1176733 0.74 RXFP1 (0.60) ALDH1A1MAPTMAPK1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L PABPC1 2480/4885ALDH1A1 4240/4885MAPT 2072/4885

“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.