SCHEMBL10101808

SCHEMBL10101808

C/C(=N\OCc1ccc2c(c1)=NCN=2)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
S1PR1 P21453 8/20 0.40
NPC1 O15118 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10101797 0.91 S1PR1 (0.37) RAB9AS1PR1NPC1S1PR3SMN1; SMN2
SCHEMBL10101805 0.91 S1PR1 (0.37) RAB9AS1PR1NPC1S1PR3SMN1; SMN2
SCHEMBL10101807 0.91 NPC1 (0.38) RAB9AS1PR1NPC1S1PR3SMN1; SMN2
SCHEMBL10101819 0.84 PPARG (0.42) RAB9AS1PR1NPC1S1PR3SMN1; SMN2
SCHEMBL10101816 0.84 S1PR1 (0.47) RAB9AS1PR1NPC1POLBS1PR3
SCHEMBL10101815 0.83 L3MBTL1 (0.53) RAB9AS1PR1NPC1SMN1; SMN2LMNA
SCHEMBL10101812 0.82 NPC1 (0.37) RAB9AS1PR1NPC1MEN1KMT2A
SCHEMBL10101793 0.82 NPC1 (0.37) RAB9AS1PR1NPC1S1PR3SMN1; SMN2
SCHEMBL10101820 0.81 CYP3A4 (0.44) RAB9ANPC1MEN1POLBKMT2A
SCHEMBL10102289 0.79 RAB9A (0.46) RAB9AS1PR1NPC1MAOAMAOB

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

“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.