SCHEMBL10102010

SCHEMBL10102010

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1ccc(C)c(OC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTR2A P28223 1/20 0.43
S1PR1 P21453 1/20 0.43
MAOB P27338 2/20 0.42
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.40
KLF5 Q13887 1/20 0.40
MAPT P10636 5/20 0.39
MAOA P21397 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
AKR1C3 P42330 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10107083 0.88 HTT (0.47) NPC1SMN1; SMN2HTR2AS1PR1MAOB
SCHEMBL10102000 0.85 MAPT (0.53) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10101734 0.85 S1PR1 (0.44) NPC1SMN1; SMN2S1PR1RAB9AMAPT
SCHEMBL10101946 0.83 SMN1; SMN2 (0.48) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10102298 0.82 SMN1; SMN2 (0.47) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10102030 0.81 SMN1; SMN2 (0.48) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10107086 0.81 HTT (0.53) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10101804 0.81 POLB (0.46) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10107043 0.79 HTT (0.51) NPC1SMN1; SMN2S1PR1MAOBHTT
SCHEMBL10101965 0.79 NPC1 (0.53) NPC1SMN1; SMN2S1PR1MAOBHTT

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 NPC1 357/4885SMN1; SMN2 3060/4885HTR2A 1487/4885

“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.