SCHEMBL10102158

SCHEMBL10102158

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C)cc1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40
KLF5 Q13887 1/20 0.40
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 2/20 0.36
PKM P14618 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL10102149 0.92 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102135 0.90 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102148 0.90 CA12 (0.42) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102114 0.90 MAPT (0.45) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102129 0.89 MAPT (0.50) SMN1; SMN2NPC1MAPTKMT2AMEN1
SCHEMBL14042059 0.89 TUBB4A (0.42) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102154 0.88 S1PR1 (0.41) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10101774 0.87 BACE1 (0.40) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL10102144 0.86 PSD (0.40) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102123 0.86 MAPT (0.50) SMN1; SMN2NPC1RAB9AKLF5MAPT

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 2 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

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 SMN1; SMN2 3060/4885NPC1 357/4885RAB9A 3908/4885

“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.