SCHEMBL10102107

SCHEMBL10102107

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.42
KLF5 Q13887 1/20 0.42
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
MAOB P27338 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOA P21397 1/20 0.38
S1PR1 P21453 1/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL660122 0.87 HTT (0.43) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102111 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10101922 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10101751 0.85 L3MBTL1 (0.43) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL10102149 0.83 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102114 0.83 MAPT (0.45) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102135 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102158 0.81 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102148 0.81 CA12 (0.42) SMN1; SMN2NPC1RAB9AKLF5MAPT
SCHEMBL10102200 0.81 HSP90AA1 (0.46) 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.