SCHEMBL10101820

SCHEMBL10101820

C/C(=N\OCc1ccc2c(c1)=NCN=2)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10101819 0.81 PPARG (0.42) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101816 0.81 S1PR1 (0.47) MAPTGAAHTTL3MBTL1NPC1
SCHEMBL10101737 0.81 NPC1 (0.54) CYP3A4KMT2AMAPTGAAHTT
SCHEMBL10101808 0.81 RAB9A (0.41) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14042072 0.80 CYP3A4 (0.47) CYP3A4KMT2AMAPTGAAHTT
SCHEMBL10101815 0.80 L3MBTL1 (0.53) HTTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101812 0.80 NPC1 (0.37) KMT2AMAPTGAAL3MBTL1NPC1
SCHEMBL10101793 0.80 NPC1 (0.37) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10101807 0.79 NPC1 (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10101797 0.79 S1PR1 (0.37) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 CYP3A4 500/4885KMT2A 4832/4885MAPT 2433/4885

“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.