SCHEMBL4169352

SCHEMBL4169352

c1cc(-c2nnc(-c3cnc4ccccc4c3)o2)cc(-c2nnc(-c3cnc4ccccc4c3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.54
▸ CYP2A6 P11509 1/20 0.51
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ TSHR P16473 4/20 0.50
▸ PDGFRB P09619 2/20 0.50
▸ PDGFRA P16234 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MAP4K4 O95819 1/20 0.48
▸ CSNK1G2 P78368 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ MAP4K5 Q9Y4K4 1/20 0.48
▸ CYP1A2 P05177 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL11987330 0.91 PDGFRB (0.51) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987344 0.90 CYP1A2 (0.58) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987321 0.90 NPC1 (0.54) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987345 0.89 NPC1 (0.51) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987341 0.88 BIRC5 (0.48) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987335 0.86 CYP1A2 (0.51) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987656 0.86 PDGFRB (0.46) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL11987278 0.86 NPC1 (0.51) BIRC5RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL12171107 0.85 MAP4K4 (0.57) RAB9ANPC1SMN1; SMN2TSHRMAP4K4
SCHEMBL11987272 0.85 NPC1 (0.50) BIRC5RAB9ANPC1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1932842-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-06-18 — — EP 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-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, ORC3, OCIAD1 BIRC5 1126/4885CYP2A6 3825/4885RAB9A 4215/4885

“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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