SCHEMBL10029586

SCHEMBL10029586

Cc1cc(Br)cc(-c2nc(CC(=O)O)cs2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 3/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SHMT1 P34896 2/20 0.49
SHMT2 P34897 2/20 0.49
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 2/20 0.44
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
TP53 P04637 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10029557 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029563 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029575 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029569 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL25410911 0.81 LMNA (0.73) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL628071 0.81 LMNA (0.53) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL9555508 0.79 LMNA (0.73) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029572 0.76 KDM4E (0.65) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029559 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL10029587 0.75 LMNA (0.59) KDM4EALDH1A1HPGDGAALMNA

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.