SCHEMBL4619341

SCHEMBL4619341

OCc1ccc(C=NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ACHE P22303 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4619336 1.00 RAB9A (0.49) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL13613577 0.83 KMT2A (0.50) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL8887514 0.82 CA2 (0.48) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5668373 0.82 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4275683 0.82 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4275687 0.82 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL12134416 0.79 ALDH1A1 (0.52) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL505972 0.79 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL981090 0.79 GAA (0.57) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL506660 0.79 ALDH1A1 (0.48) RAB9ASMN1; SMN2NPC1CASP3SENP8

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-20080306124-A1 Polycyclic Oxadiazoles or I Soxazoles and Their Use as Sip Receptor Ligands NOVARTIS AG (CH) 2008-12-11 — — US disclosed
CN-101184739-A Polycyclic * diazoles and iso- * azoles and their use as ligands for the S1P receptor NOVARTIS AG (CH) 2008-05-21 — — CN 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 RAB9A 4016/4885SMN1; SMN2 2002/4885NPC1 3242/4885

“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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