SCHEMBL2820819

SCHEMBL2820819

Ic1ccccc1-c1nnc(-c2ccccc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.65
NPC1 O15118 14/20 0.65
SMN1; SMN2 Q16637 9/20 0.65
HPGD P15428 9/20 0.62
ALDH1A1 P00352 9/20 0.62
TSHR P16473 5/20 0.62
KDM4E B2RXH2 6/20 0.59
GAA P10253 1/20 0.59
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 1/20 0.57
ATAD2 Q6PL18 2/20 0.55
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
HSD17B10 Q99714 4/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL17069888 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1422982 0.83 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL21966961 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4336383 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12765574 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL46426 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4343181 0.79 NPC1 (0.94) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL19226215 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12887907 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL1836465 0.78 NPC1 (0.74) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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
EP-3247772-B1 SYMMETRICAL ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2019-10-16 EP 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
CN-101845042-A Oxadiazole derivative, luminous element, display unit, means of illumination and electronics SEMICONDUCTOR ENERGY LAB 2010-09-29 CN 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 RAB9A 3235/4885NPC1 4534/4885SMN1; 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.