SCHEMBL10102114

SCHEMBL10102114

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
XBP1 P17861 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KLF5 Q13887 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAOB P27338 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAOA P21397 1/20 0.38
AR P10275 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ELANE P08246 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL10102149 0.92 SMN1; SMN2 (0.40) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102148 0.90 CA12 (0.42) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102135 0.90 SMN1; SMN2 (0.46) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102158 0.90 SMN1; SMN2 (0.41) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102129 0.89 MAPT (0.50) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10107220 0.88 MAPT (0.43) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102154 0.88 S1PR1 (0.41) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10101753 0.86 MAPK1 (0.41) MAPTSMN1; SMN2LMNAMAPK1NPC1
SCHEMBL10102144 0.86 PSD (0.40) MAPTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL10102123 0.85 MAPT (0.50) MAPTSMN1; SMN2KMT2ALMNAMEN1

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 MAPT 2433/4885SMN1; SMN2 3060/4885KMT2A 4832/4885

“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.