SCHEMBL4175696

SCHEMBL4175696

c1cc(-c2nnc(-c3ccc4ccccc4n3)o2)cc(-c2nnc(-c3ccc4ccccc4n3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
TP53 P04637 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
PKM P14618 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HCRTR1 O43613 1/20 0.54
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 8/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 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
SCHEMBL11987329 0.91 NPC1 (0.51) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987333 0.90 ALDH1A1 (0.58) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987338 0.89 NPC1 (0.50) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987357 0.89 NPC1 (0.47) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987323 0.88 NPC1 (0.59) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987324 0.86 RAB9A (0.61) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987342 0.86 NPC1 (0.50) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987257 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL12171105 0.85 NPC1 (0.50) NPC1RAB9AALDH1A1HPGDTP53
SCHEMBL11987255 0.85 BACE1 (0.49) NPC1RAB9AALDH1A1HPGDTP53

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 8 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
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 NPC1 3174/4885RAB9A 4215/4885ALDH1A1 156/4885

“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.