SCHEMBL10101794

SCHEMBL10101794

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
S1PR3 Q99500 1/20 0.39
MTOR P42345 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL10102289 0.96 RAB9A (0.46) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10101746 0.92 S1PR1 (0.43) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10101798 0.92 S1PR1 (0.47) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10101803 0.88 NPC1 (0.47) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10102301 0.88 RAB9A (0.47) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10102291 0.85 S1PR1 (0.37) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10101797 0.85 S1PR1 (0.37) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10102075 0.85 MAOA (0.44) S1PR1SMN1; SMN2LMNAPTBP1RAB9A
SCHEMBL10102298 0.84 SMN1; SMN2 (0.47) S1PR1SMN1; SMN2RAB9ANPC1PPARG
SCHEMBL660329 0.80 LMNA (0.44) S1PR1SMN1; SMN2LMNAPTBP1RAB9A

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 S1PR1 909/4885SMN1; SMN2 3060/4885LMNA 2636/4885

“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.