SCHEMBL11987264

SCHEMBL11987264

Cc1ccc2cc(-c3nnc(-c4cccc(-c5nnc(-c6cnc7cc(C)ccc7c6)o5)c4)o3)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.53
▸ NPC1 O15118 10/20 0.53
▸ SMN1; SMN2 Q16637 9/20 0.53
▸ HPGD P15428 8/20 0.53
▸ TSHR P16473 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ KDM4E B2RXH2 6/20 0.48
▸ TP53 P04637 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NFKB1 P19838 4/20 0.45
▸ NFKB2 Q00653 4/20 0.45

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
SCHEMBL11987354 0.94 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987274 0.89 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987275 0.84 PDGFRB (0.48) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987272 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987350 0.83 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL4169352 0.82 BIRC5 (0.54) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987289 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987283 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987270 0.80 NPC1 (0.48) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL11987335 0.78 CYP1A2 (0.51) RAB9ANPC1SMN1; SMN2HPGDTSHR

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 5 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-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 RAB9A 4215/4885NPC1 3174/4885SMN1; SMN2 3119/4885

“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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