SCHEMBL10029581

SCHEMBL10029581

COc1ccc(-c2nc(CC(=O)O)cs2)cc1C

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.81
ALDH1A1 P00352 7/20 0.81
HPGD P15428 4/20 0.81
GAA P10253 2/20 0.81
HSD17B10 Q99714 2/20 0.59
LMNA P02545 4/20 0.58
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHEK1 O14757 1/20 0.47
HTR7 P34969 1/20 0.47
GRK6 P43250 1/20 0.46

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
SCHEMBL10029572 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL629099 0.83 KDM4E (0.74) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10029573 0.82 LMNA (0.68) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10029565 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL21032810 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL25410911 0.79 LMNA (0.73) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL13629590 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8847610 0.77 KDM4E (0.79) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL20255896 0.77 KDM4E (0.76) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL31057890 0.77 SHMT2 (0.56) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 KDM4E 751/4885ALDH1A1 1164/4885HPGD 4316/4885

“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.