SCHEMBL1805264

SCHEMBL1805264

NC(=O)c1ccc(O)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
GFER P55789 1/20 0.47
PARP1 P09874 1/20 0.46
LCK P06239 1/20 0.46
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
DGAT1 O75907 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL30297923 0.89 ALDH1A1 (0.59) CES2CA12CA1CA2CA7
SCHEMBL591760 0.89 ALDH1A1 (0.59) CES2CA12CA1CA2CA7
SCHEMBL127607 0.89 ALDH1A1 (0.59) CES2CA12CA1CA2CA7
SCHEMBL10781901 0.83 CA12 (0.64) CES2CA12CA1CA2CA7
SCHEMBL1329143 0.83 CES2 (0.67) CES2CA12CA1CA2CA7
SCHEMBL1163541 0.83 CA12 (0.64) CES2CA12CA1CA2CA7
SCHEMBL5369877 0.83 CES2 (0.67) CES2CA12CA1CA2CA7
SCHEMBL5065100 0.82 PDK2 (0.46) CES2CA12CA1CA2CA7
SCHEMBL562543 0.81 IKBKB (0.55) CES2CA12CA1CA2CA7
SCHEMBL164897 0.81 CA12 (0.46) CES2CA12CA1CA2CA7

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
CN-1812723-A Coated composition comprises at least one hydroformate BASF AG (DE) 2006-08-02 CN 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CES2 4474/4885CA12 1243/4885CA1 798/4885

“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.