SCHEMBL10102004

SCHEMBL10102004

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
HTT P42858 1/20 0.48
RAB9A P51151 4/20 0.48
KLF5 Q13887 1/20 0.48
PPARG P37231 6/20 0.47
PPARA Q07869 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
S1PR1 P21453 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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 0.87 NPC1 (0.59) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL14042192 0.85 NPC1 (0.50) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL10102030 0.83 SMN1; SMN2 (0.48) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL10101946 0.83 SMN1; SMN2 (0.48) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL10102000 0.82 MAPT (0.53) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL22092174 0.82 MAOB (0.62) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL22092175 0.82 MAOB (0.62) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL661284 0.82 NPC1 (0.47) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL10102318 0.82 NPC1 (0.47) MAOBMAOASMN1; SMN2NPC1HTT
SCHEMBL10101738 0.81 L3MBTL1 (0.51) MAOBSMN1; SMN2NPC1HTTRAB9A

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 6 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-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 MAOB 2633/4885MAOA 2304/4885SMN1; 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.