SCHEMBL25720362

SCHEMBL25720362

O=C(Nc1ccccn1)c1c(O)c2c([nH]c1=O)CCCC2

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
PKM P14618 3/20 0.68
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
MAPT P10636 5/20 0.66
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
XBP1 P17861 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 2/20 0.62
USP2 O75604 2/20 0.61
RECQL P46063 1/20 0.61
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
HIF1A Q16665 1/20 0.50

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
SCHEMBL24054797 0.83 MAPT (0.68) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL24054800 0.82 MAPT (0.60) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL3411549 0.78 NPC1 (0.49) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13597944 0.76 ALDH1A1 (1.00) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13597943 0.76 ALDH1A1 (0.80) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL24054802 0.76 KDM4E (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13597951 0.75 RAB9A (0.60) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13597941 0.74 RAB9A (0.73) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13597924 0.74 ALDH1A1 (0.71) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13597938 0.74 RAB9A (0.67) ALDH1A1PKMRAB9ANPC1SMN1; SMN2

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-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ALDH1A1 2288/4885PKM 4774/4885RAB9A 1874/4885

“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.