SCHEMBL21524602

SCHEMBL21524602

C[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ USP2 O75604 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ BRCA1 P38398 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HAT1 O14929 2/20 0.47
▸ RBBP7 Q16576 2/20 0.47
▸ TST Q16762 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HBB P68871 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL21524596 0.80 MEN1 (0.60) KDM4EHPGDALDH1A1HTTMAPT
SCHEMBL3834002 0.73 KDM4E (0.61) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL11375526 0.71 TDP1 (0.60) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL11384276 0.70 TDP1 (0.55) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL23965851 0.69 MEN1 (0.72) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL21524607 0.68 MEN1 (0.45) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL24193387 0.67 TDP2 (0.46) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL22830405 0.67 MEN1 (0.68) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL11389527 0.64 MEN1 (0.52) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL25166750 0.64 MEN1 (0.80) KDM4EHPGDALDH1A1HTTGAA

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-10457682-B2 Small molecules that bind MR1 THE UNIVERSITY OF CHICAGO 2019-10-29 — — 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-10457682-B2 Small molecules that bind MR1 MICA, HLA-DRB1, CD74 KDM4E 4513/4885HPGD 3082/4885ALDH1A1 2498/4885

“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.

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