SCHEMBL10102154

SCHEMBL10102154

C/C(=N\OCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(C)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGES O14684 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
PPARD Q03181 2/20 0.36
TGM2 P21980 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL10102148 0.90 CA12 (0.42) S1PR1SMN1; SMN2NPC1PPARGPPARA
SCHEMBL10102149 0.89 SMN1; SMN2 (0.40) S1PR1SMN1; SMN2NPC1ALKBH5LMNA
SCHEMBL10107052 0.89 S1PR1 (0.40) S1PR1SMN1; SMN2NPC1PPARGPPARA
SCHEMBL10102144 0.89 PSD (0.40) SMN1; SMN2NPC1LMNAMAPTNPSR1
SCHEMBL10102158 0.88 SMN1; SMN2 (0.41) S1PR1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL10102135 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1LMNAMAPTNPSR1
SCHEMBL10102114 0.88 MAPT (0.45) SMN1; SMN2NPC1LMNAMAPTNPSR1
SCHEMBL10101773 0.87 S1PR1 (0.43) S1PR1PPARGPPARAMAPTPPARD
SCHEMBL10102129 0.87 MAPT (0.50) S1PR1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL10102123 0.83 MAPT (0.50) SMN1; SMN2NPC1LMNAMAPTNPSR1

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 3060/4885NPC1 357/4885

“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.