SCHEMBL10107043

SCHEMBL10107043

COc1cc(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAOB P27338 2/20 0.44
S1PR1 P21453 1/20 0.44
GAA P10253 2/20 0.43
KLF5 Q13887 1/20 0.42
GFER P55789 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
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
SCHEMBL10106882 0.91 HTT (0.48) HTTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10107086 0.91 HTT (0.53) HTTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14042192 0.88 NPC1 (0.50) HTTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10102030 0.86 SMN1; SMN2 (0.48) HTTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL661195 0.85 HTT (0.47) HTTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14042360 0.85 HTT (0.47) HTTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10102318 0.85 NPC1 (0.47) HTTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL661284 0.85 NPC1 (0.47) HTTNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL10107083 0.85 HTT (0.47) HTTNPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10101946 0.84 SMN1; SMN2 (0.48) HTTNPC1SMN1; SMN2ALDH1A1RAB9A

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 4 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
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 3412/4885NPC1 357/4885SMN1; 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.