SCHEMBL10107052

SCHEMBL10107052

COc1cc(-c2ccc(C(F)(F)F)cc2)c(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPC1 O15118 3/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 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
SCHEMBL10106933 0.90 MEN1 (0.41) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10106945 0.90 MAPT (0.42) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL10102154 0.89 S1PR1 (0.41) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10106932 0.89 MAPT (0.50) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10107121 0.89 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14042198 0.88 SMN1; SMN2 (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14042059 0.88 TUBB4A (0.42) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10107220 0.88 MAPT (0.43) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10106831 0.87 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL10107274 0.86 S1PR1 (0.42) S1PR1MAPTRAB9APPARGPPARA

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 4 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-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
WO-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO 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 909/4885MEN1 3782/4885KMT2A 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.