SCHEMBL10101965

SCHEMBL10101965

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
S1PR1 P21453 2/20 0.52
MAOB P27338 1/20 0.51
MAPT P10636 4/20 0.50
ACHE P22303 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 2/20 0.48
KLF5 Q13887 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
AKR1C3 P42330 1/20 0.48
IDO1 P14902 1/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL10101959 0.88 NPC1 (0.59) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10106827 0.87 MAOB (0.55) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10102000 0.86 MAPT (0.53) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10101733 0.85 S1PR1 (0.60) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10102030 0.84 SMN1; SMN2 (0.48) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10101946 0.84 SMN1; SMN2 (0.48) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL14042192 0.83 NPC1 (0.50) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL10102298 0.83 SMN1; SMN2 (0.47) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL22092148 0.82 MAOB (0.59) NPC1SMN1; SMN2S1PR1MAOBMAPT
SCHEMBL22092147 0.82 MAOB (0.59) NPC1SMN1; SMN2S1PR1MAOBMAPT

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 357/4885SMN1; SMN2 3060/4885S1PR1 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.