SCHEMBL4618965

SCHEMBL4618965

O=C(O)CCC(=O)Nc1ccc(-c2nnc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 7/20 0.58
HSD17B10 Q99714 5/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
S1PR1 P21453 4/20 0.50
TSHR P16473 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
S1PR3 Q99500 2/20 0.50
USP2 O75604 1/20 0.50
FBP1 P09467 2/20 0.47
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL4618961 1.00 MEN1 (0.64) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL4931547 0.92 MEN1 (0.53) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL4930096 0.85 S1PR1 (0.61) TP53S1PR1S1PR3MAPTPOLB
SCHEMBL4930104 0.85 S1PR1 (0.61) TP53S1PR1S1PR3MAPTPOLB
SCHEMBL3275081 0.81 S1PR1 (0.47) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL4929185 0.81 S1PR1 (0.45) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL4929190 0.81 S1PR1 (0.45) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL3275085 0.81 S1PR1 (0.47) MEN1KMT2AHPGDHSD17B10KDM4E
SCHEMBL28773007 0.79 TNKS (0.51) PKMTP53S1PR1S1PR3TNKS
SCHEMBL4931695 0.79 S1PR1 (0.60) MEN1KMT2AHSD17B10KDM4EALDH1A1

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 MEN1 1387/4885KMT2A 3854/4885HPGD 2500/4885

“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.