SCHEMBL21524596

SCHEMBL21524596

C[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ USP2 O75604 4/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.60
▸ ALPL P05186 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ ALPI P09923 1/20 0.60
▸ ALPG P10696 1/20 0.60
▸ AGTR1 P30556 1/20 0.60
▸ HTT P42858 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ HAT1 O14929 4/20 0.60
▸ RBBP7 Q16576 4/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ CASP1 P29466 2/20 0.60
▸ BRCA1 P38398 2/20 0.60
▸ RECQL P46063 2/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ TST Q16762 2/20 0.60

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
SCHEMBL23965851 0.89 MEN1 (0.72) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL29457737 0.89 MEN1 (0.72) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL21524602 0.80 KDM4E (0.60) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL9635970 0.78 HTT (0.54) MEN1KMT2AUSP2RXFP1HTT
SCHEMBL21524599 0.75 MEN1 (0.80) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL22830405 0.75 MEN1 (0.68) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL11307165 0.75 GSR (0.55) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL9637273 0.75 ALDH1A1 (0.62) MEN1KMT2APOLBHTTKDM4E
Riboflavin SCHEMBL9609755 0.75 MEN1 (1.00) MEN1KMT2AUSP2RXFP1ALPL
SCHEMBL11408067 0.75 MEN1 (0.96) MEN1KMT2AUSP2RXFP1ALPL

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 MEN1 396/4885KMT2A 4029/4885USP2 4130/4885

“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.

Send feedback