SCHEMBL10820029

SCHEMBL10820029

Cc1cc(C)cc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.52
▸ NPC1 O15118 9/20 0.52
▸ RAB9A P51151 9/20 0.52
▸ HPGD P15428 7/20 0.52
▸ TSHR P16473 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MECP2 P51608 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL11934023 0.93 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL21312049 0.90 KDM4E (0.48) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL10820027 0.90 NPC1 (0.56) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL10820024 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL4651756 0.88 NPC1 (0.52) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL11934025 0.84 NPC1 (0.64) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL17125595 0.83 NPC1 (0.46) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL4546848 0.83 KDM4E (0.50) ALDH1A1POLBKDM4EMAPTMEN1
SCHEMBL2728718 0.83 MEN1 (0.43) SMN1; SMN2NPC1RAB9AHPGDTSHR
SCHEMBL10299024 0.83 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972625-B1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LAB (JP) 2013-08-21 — — EP disclosed
US-8221904-B2 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-17 — — US disclosed
US-8221904-B2 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-17 — — US disclosed
US-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-25 — — US disclosed
US-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-25 — — US disclosed
EP-1972625-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-24 — — 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-20080230747-A1 Oxadiazole derivative and light-emitting element, light-emitting device, and electronic device in which the oxadiazole derivative is used OXA1L, OCIAD1, NOX1 SMN1; SMN2 2602/4885NPC1 4633/4885RAB9A 4180/4885

“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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