SCHEMBL13134524

SCHEMBL13134524

Cc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.65
▸ RAB9A P51151 14/20 0.65
▸ SMN1; SMN2 Q16637 9/20 0.65
▸ HPGD P15428 6/20 0.65
▸ POLB P06746 2/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ TSHR P16473 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL13134571 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134523 1.00 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134518 0.89 NPC1 (0.77) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134573 0.87 NPC1 (0.72) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL2813678 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134570 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13557004 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134576 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134527 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL13134516 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDPOLB

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-8481176-B2 Oxadiazole derivative, and light-emitting element, light-emitting device, electronic device, and lighting device using oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-07-09 — — US disclosed
US-8481176-B2 Oxadiazole derivative, and light-emitting element, light-emitting device, electronic device, and lighting device using oxadiazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-07-09 — — US disclosed
US-20100244673-A1 Oxadiazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-30 — — US disclosed
US-20100244673-A1 Oxadiazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 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-20100244673-A1 Oxadiazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using Oxadiazole Derivative OXA1L, OXER1, DRD1 NPC1 2559/4885RAB9A 3017/4885SMN1; SMN2 3013/4885

“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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