SCHEMBL10102011

SCHEMBL10102011

C/C(=N\OCc1cccc(F)c1)c1ccc(C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 6/20 0.45
PPARG P37231 6/20 0.43
PPARA Q07869 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOA P21397 1/20 0.43
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
NR4A2 P43354 1/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
PARP10 Q53GL7 1/20 0.40
S1PR1 P21453 1/20 0.37
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL10102301 0.89 RAB9A (0.47) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102056 0.88 SMN1; SMN2 (0.44) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL10101740 0.87 NPC1 (0.48) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102038 0.86 SMN1; SMN2 (0.51) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102036 0.85 NPC1 (0.50) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL10106852 0.85 PTPN7 (0.46) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10101743 0.85 SMN1; SMN2 (0.41) NPC1RAB9APPARGPPARASMN1; SMN2
SCHEMBL10101746 0.85 S1PR1 (0.43) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102075 0.84 MAOA (0.44) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL15255331 0.82 NPC1 (0.42) NPC1RAB9AMAOBPPARGPPARA

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 NPC1 357/4885RAB9A 3908/4885MAOB 2633/4885

“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.