SCHEMBL660122

SCHEMBL660122

COc1cc(Br)c(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTR2A P28223 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLF5 Q13887 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NTSR1 P30989 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4751335 0.89 HTT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4750955 0.89 HTT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14042048 0.87 HTT (0.46) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10102107 0.87 SMN1; SMN2 (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10107220 0.84 MAPT (0.43) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10107077 0.84 LMNA (0.36) MAPTSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL10107121 0.83 MEN1 (0.42) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10106831 0.83 MAPT (0.51) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10106932 0.83 MAPT (0.50) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14042198 0.82 SMN1; SMN2 (0.45) HTTMAPTSMN1; SMN2NPC1RAB9A

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
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 HTT 3412/4885MAPT 2433/4885SMN1; 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.