SCHEMBL4617232

SCHEMBL4617232

Nc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.78
▸ S1PR3 Q99500 4/20 0.78
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL3082641 0.95 S1PR1 (0.73) S1PR1S1PR3BCHEACHENR1H4
SCHEMBL13417080 0.88 S1PR1 (0.78) S1PR1S1PR3KDM4EMEN1ALDH1A1
SCHEMBL13417221 0.88 S1PR1 (1.00) S1PR1S1PR3ALDH1A1TP53SMN1; SMN2
SCHEMBL3813299 0.86 S1PR1 (0.76) S1PR1S1PR3KDM4EMEN1ALDH1A1
SCHEMBL4618138 0.85 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL13417223 0.85 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL16592606 0.83 S1PR1 (0.58) S1PR1S1PR3ALDH1A1TP53SMN1; SMN2
SCHEMBL13417068 0.83 S1PR1 (1.00) S1PR1S1PR3KDM4EALDH1A1TP53
SCHEMBL13416533 0.82 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL14926463 0.81 S1PR1 (0.76) S1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 — — US disclosed
EP-1893591-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS Novartis AG (CH) 2008-03-05 — — EP disclosed
WO-2006131336-A1 POLYCYCLIC OXADIAZOLES OR I SOXAZOLES AND THEIR USE AS SlP RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-12-14 — — 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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands SOX18, SIGMAR1, SUCNR1 S1PR1 13/4885S1PR3 22/4885KDM4E 3417/4885

“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.

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