SCHEMBL10101959

SCHEMBL10101959

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KLF5 Q13887 1/20 0.55
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
UBE2N P61088 1/20 0.51
S1PR1 P21453 2/20 0.50
KMT2A Q03164 2/20 0.49
ALPI P09923 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDO1 P14902 1/20 0.46
CES2 O00748 1/20 0.46

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
SCHEMBL10101965 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1KLF5
SCHEMBL10102004 0.87 MAOB (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1KLF5
SCHEMBL10106827 0.85 MAOB (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1KLF5
SCHEMBL22092148 0.83 MAOB (0.59) NPC1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22092147 0.83 MAOB (0.59) NPC1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22092174 0.82 MAOB (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1KLF5
SCHEMBL22092175 0.82 MAOB (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1KLF5
SCHEMBL19733323 0.82 L3MBTL1 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4451421 0.82 L3MBTL1 (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10102000 0.82 MAPT (0.53) NPC1RAB9ASMN1; SMN2KLF5MAPT

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 3908/4885SMN1; SMN2 3060/4885

“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.