SCHEMBL12680724

SCHEMBL12680724

c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)ccc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 0.52
▸ RAB9A P51151 13/20 0.52
▸ SMN1; SMN2 Q16637 8/20 0.52
▸ HPGD P15428 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ ATAD2 Q6PL18 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44

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
SCHEMBL2818977 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL12680734 0.97 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL1924967 0.97 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL13230215 0.97 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL13230206 0.97 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11998181 0.96 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL12680669 0.96 KDM4E (0.50) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL2817798 0.96 KDM4E (0.50) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11987978 0.94 KDM4E (0.49) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL11987992 0.94 KDM4E (0.49) NPC1RAB9ASMN1; SMN2HPGDKDM4E

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-8273898-B2 Oxadiazole derivative, light-emitting element, display device, lighting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-25 — — US disclosed
US-8273898-B2 Oxadiazole derivative, light-emitting element, display device, lighting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-25 — — US disclosed
US-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — US disclosed
US-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — US 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-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE DRD3, DRD2, OXA1L NPC1 4534/4885RAB9A 3235/4885SMN1; SMN2 3591/4885

“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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