SCHEMBL10101816

SCHEMBL10101816

C/C(=N\OCc1ccc2c(c1)=NCN=2)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.47
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
LMNA P02545 3/20 0.36
PTBP1 P26599 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
S1PR3 Q99500 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL10101815 0.88 L3MBTL1 (0.53) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101819 0.88 PPARG (0.42) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101793 0.85 NPC1 (0.37) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101812 0.85 NPC1 (0.37) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101807 0.84 NPC1 (0.38) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101797 0.84 S1PR1 (0.37) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101808 0.84 RAB9A (0.41) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101805 0.82 S1PR1 (0.37) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL10101820 0.81 CYP3A4 (0.44) NPC1RAB9AL3MBTL1SMN1; SMN2POLB
SCHEMBL10101733 0.80 S1PR1 (0.60) S1PR1NPC1RAB9AL3MBTL1SMN1; SMN2

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 S1PR1 909/4885NPC1 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.