SCHEMBL661453

SCHEMBL661453

COc1ccc(C(C)=NOCc2cccc(F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAOB P27338 4/20 0.44
PPARG P37231 5/20 0.43
PPARA Q07869 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ACHE P22303 1/20 0.42
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTBP1 P26599 1/20 0.40
NR4A2 P43354 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL10106934 1.00 RAB9A (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10106852 0.89 PTPN7 (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL660329 0.85 LMNA (0.44) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10106902 0.85 LMNA (0.44) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10102301 0.85 RAB9A (0.47) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL10107268 0.80 LMNA (0.42) RAB9ANPC1PPARGPPARALMNA
SCHEMBL10107056 0.80 RAB9A (0.45) RAB9ANPC1PPARGPPARALMNA
SCHEMBL10102011 0.79 NPC1 (0.46) RAB9ANPC1MAOBPPARGPPARA
SCHEMBL660491 0.78 LMNA (0.49) RAB9ANPC1PPARGPPARALMNA
SCHEMBL10107132 0.78 LMNA (0.49) RAB9ANPC1PPARGPPARALMNA

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 3 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
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO 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 RAB9A 3908/4885NPC1 357/4885MAOB 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.