Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604009

SCHEMBL9604009

SCHEMBL9604009

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.41
▸ RAB9A P51151 8/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KDM4E B2RXH2 7/20 0.39
▸ HPGD P15428 7/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9604007 0.94 NPC1 (0.38) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9604005 0.90 NPC1 (0.40) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8281498 0.86 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9604003 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9603992 0.85 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL24570709 0.85 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL19846122 0.84 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8281421 0.84 HPGD (0.40) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL24557180 0.83 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL18027497 0.83 NPC1 (0.51) NPC1RAB9AMEN1KMT2AATM

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-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 — — US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 — — US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 — — US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 — — 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 NPC1 4611/4885RAB9A 3002/4885MEN1 3923/4885

“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.