SCHEMBL10102303

SCHEMBL10102303

C/C(=N\OCc1ccc2nonc2c1)c1ccc(F)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
S1PR1 P21453 4/20 0.37
PPARG P37231 6/20 0.37
PPARA Q07869 5/20 0.37
ENPP2 Q13822 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTBP1 P26599 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL660703 1.00 NPC1 (0.38) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL660600 0.91 S1PR1 (0.37) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10102310 0.91 S1PR1 (0.37) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL660492 0.91 RAB9A (0.41) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10102319 0.91 RAB9A (0.41) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10102311 0.89 NPC1 (0.38) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10101723 0.87 ENPP2 (0.37) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10106850 0.87 PPARG (0.44) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL661511 0.87 PPARG (0.44) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL10102291 0.86 S1PR1 (0.37) NPC1RAB9AS1PR1PPARGPPARA

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 5 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-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
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 NPC1 357/4885RAB9A 3908/4885S1PR1 909/4885

“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.