SCHEMBL10107087

SCHEMBL10107087

CC/C(=N\COCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(OC)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TLR9 Q9NR96 1/20 0.37
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNMA1 Q12791 2/20 0.35

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
SCHEMBL10106884 0.88 HTT (0.42) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15251323 0.86 HTT (0.42) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10107082 0.83 HTT (0.45) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4750955 0.78 HTT (0.43) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4751335 0.78 HTT (0.43) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL10101955 0.73 SMN1; SMN2 (0.42) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4747653 0.70 HTT (0.47) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL15255586 0.70 HTT (0.47) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL660122 0.69 HTT (0.43) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14042048 0.67 HTT (0.46) HTTMAPTSMN1; SMN2RAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.