SCHEMBL3293191

SCHEMBL3293191

CC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.75
RAB9A P51151 7/20 0.75
KDM4E B2RXH2 2/20 0.75
S1PR1 P21453 2/20 0.67
NR1H4 Q96RI1 1/20 0.57
EGFR P00533 1/20 0.55
NOTUM Q6P988 1/20 0.55
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
S1PR4 O95977 1/20 0.51
S1PR5 Q9H228 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
IKBKB O14920 2/20 0.50
HPGD P15428 2/20 0.50
KIF11 P52732 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2623780 1.00 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL6296907 0.98 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL1104799 0.98 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL460873 0.94 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL12427246 0.94 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL10035781 0.92 NPC1 (0.66) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL2839508 0.92 S1PR1 (0.69) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL25408258 0.90 NPC1 (0.70) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL74782 0.90 S1PR1 (0.67) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL46191 0.90 NPC1 (0.64) NPC1RAB9AKDM4ES1PR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611818-B2 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-11-03 US claimed
US-20240300970-A1 LIGHT-EMITTING DEVICE AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2024-09-12 US disclosed
CN-108084109-A Synthesis method of 2, 5-disubstituted-1, 3, 4-oxadiazole 南京工业大学 2018-05-29 CN disclosed
US-7723114-B1 Methods and systems for detection of radionuclides CLEMSON UNIVERSITY (US) 2010-05-25 US disclosed
US-7611818-B2 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-11-03 US disclosed
US-20070077514-A1 Photosensitive resin composition, photosensitive element, resist pattern forming method and process for manufacturing printed circuit board HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-04-05 US disclosed
EP-1032850-B1 SELF-SCINTILLATING SHEET MATERIAL FOR RADIOACTIVE SPECIES ANALYSIS MINNESOTA MINING & MFG (US) 2003-12-17 EP disclosed
EP-1183554-A1 IN-SITU RADIOACTIVITY DETECTION 3M Innovative Properties Company (US) 2002-03-06 EP disclosed
WO-2000077545-A1 IN-SITU RADIOACTIVITY DETECTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO 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-20240300970-A1 LIGHT-EMITTING DEVICE AND DISPLAY DEVICE MAOA, TYR, ALDH1A2 NPC1 4631/4885RAB9A 3692/4885KDM4E 1065/4885

“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.