SCHEMBL12680689

SCHEMBL12680689

Cn1c2ccccc2c2cc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.55
▸ RAB9A P51151 11/20 0.55
▸ HPGD P15428 8/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ POLB P06746 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GPR3 P46089 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 2/20 0.45

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
SCHEMBL13550472 0.97 HPGD (0.50) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL13127201 0.94 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL17125522 0.88 ALDH1A1 (0.49) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL9885489 0.88 HPGD (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL17125535 0.88 CYP19A1 (0.49) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL883712 0.86 GPR3 (0.61) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL6724269 0.86 GPR3 (0.61) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL19986208 0.86 GPR3 (0.61) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL19986207 0.86 GPR3 (0.61) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL12680686 0.85 MAPT (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4E

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 3235/4885HPGD 1447/4885

“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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