SCHEMBL10102074

SCHEMBL10102074

C/C(=N\OCc1ccc(F)cc1F)c1ccc(C)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR1 P21453 3/20 0.41
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 6/20 0.37
ROCK2 O75116 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
STRADA Q7RTN6 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL10101744 0.90 S1PR1 (0.41) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10101749 0.86 MAOB (0.42) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10107287 0.85 MAOB (0.43) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10102038 0.83 SMN1; SMN2 (0.51) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10102056 0.81 SMN1; SMN2 (0.44) LMNAPTBP1SMN1; SMN2S1PR1L3MBTL1
SCHEMBL10102011 0.80 NPC1 (0.46) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10101746 0.80 S1PR1 (0.43) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10102075 0.79 MAOA (0.44) MAOBLMNAPTBP1SMN1; SMN2S1PR1
SCHEMBL10101743 0.78 SMN1; SMN2 (0.41) LMNAPTBP1SMN1; SMN2S1PR1MAPT
SCHEMBL10102080 0.76 NR1H4 (0.37) LMNAPTBP1SMN1; SMN2S1PR1PPARG

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 MAOB 2633/4885LMNA 2636/4885PTBP1 2831/4885

“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.