SCHEMBL10101731

SCHEMBL10101731

C/C(=N\OCc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.68
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
LMNA P02545 2/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
S1PR1 P21453 4/20 0.56
PPARG P37231 8/20 0.51
PPARA Q07869 8/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48

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
SCHEMBL10101733 0.91 S1PR1 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19733323 0.90 L3MBTL1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4451421 0.90 L3MBTL1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
Water SCHEMBL4316877 0.88 NPC1 (0.74) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11346076 0.85 L3MBTL1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10101738 0.84 L3MBTL1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10106819 0.83 NPC1 (0.63) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23715924 0.82 L3MBTL1 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10269026 0.82 NPC1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18843428 0.80 NPC1 (0.60) 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 L3MBTL1 4843/4885NPC1 357/4885RAB9A 3908/4885

“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.