SCHEMBL661195

SCHEMBL661195

COc1ccc(C(C)=NOCc2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
S1PR1 P21453 1/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MITF O75030 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
KLF5 Q13887 1/20 0.42
KCNH2 Q12809 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL14042360 1.00 HTT (0.47) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10107086 0.90 HTT (0.53) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10106882 0.88 HTT (0.48) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10102318 0.86 NPC1 (0.47) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL661284 0.86 NPC1 (0.47) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10102298 0.86 SMN1; SMN2 (0.47) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10107043 0.85 HTT (0.51) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10107083 0.84 HTT (0.47) HTTRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10107056 0.83 RAB9A (0.45) HTTRAB9ASMN1; SMN2NPC1S1PR1
SCHEMBL660329 0.81 LMNA (0.44) HTTRAB9ASMN1; SMN2NPC1S1PR1

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 3 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
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 HTT 3412/4885RAB9A 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.