SCHEMBL2606201

SCHEMBL2606201

C/C(=C\c1ccc2oc(C)nc2c1)N=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
STAT1 P42224 1/20 0.44
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL2603485 0.79 EGFR (0.51) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL2818516 0.78 GAA (0.51) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL3684471 0.74 GAA (0.51) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL20482131 0.70 RAB9A (0.56) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL29785125 0.69 ESR1 (0.58) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL1192488 0.69 ESR1 (0.58) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL13528421 0.68 L3MBTL1 (0.82) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL903255 0.68 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL9105844 0.68 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL29442076 0.68 NPC1 (0.61) GAAL3MBTL1RAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158664-B2 Antimicrobial and radioprotective compounds BIODIEM LTD. (AU) 2012-04-17 US disclosed
US-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS BIODIEM LTD. (AU) 2010-11-18 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-20100292317-A1 ANTIMICROBIAL AND RADIOPROTECTIVE COMPOUNDS RAD51, BRCA1, XPA GAA 3995/4885L3MBTL1 1444/4885RAB9A 451/4885

“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.