SCHEMBL21168971

SCHEMBL21168971

CCOc1cc(O)cc(/C=N/NC(=O)c2ccncc2)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
NPC1 O15118 5/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
KLF5 Q13887 1/20 0.63
NCOA3 Q9Y6Q9 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.56
G6PD P11413 1/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 2/20 0.56
USP2 O75604 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
SAE1 Q9UBE0 1/20 0.56

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
SCHEMBL21145666 0.89 KMT2A (0.78) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL21145664 0.89 KMT2A (0.78) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL19478555 0.86 NCOA3 (0.78) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL12443164 0.82 TDP1 (0.76) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL12443144 0.79 GAA (0.77) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL21192742 0.78 MEN1 (0.78) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL21192740 0.78 ATM (0.76) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL21145748 0.77 MEN1 (0.70) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL21145750 0.77 MEN1 (0.70) ALDH1A1KMT2AMEN1NPC1L3MBTL1
SCHEMBL19283321 0.77 NCOA3 (0.71) KMT2AMEN1NPC1L3MBTL1KLF5

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-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 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-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE GRIN2A, GRIN3A, GRIN1 ALDH1A1 4093/4885KMT2A 585/4885MEN1 4774/4885

“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.