SCHEMBL417379

SCHEMBL417379

CC(C)(C)c1ccc(-c2nnc(N)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
KDM4E B2RXH2 5/20 1.00
S1PR1 P21453 1/20 0.62
NOTUM Q6P988 3/20 0.59
DGAT1 O75907 1/20 0.59
HSD17B10 Q99714 1/20 0.54
IKBKB O14920 2/20 0.51
NR1H4 Q96RI1 1/20 0.50
EGFR P00533 1/20 0.49
GFER P55789 1/20 0.49
KIF11 P52732 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL2623780 0.86 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL3293191 0.86 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL6296907 0.84 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL1104799 0.84 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL5754354 0.83 KDM4E (0.71) NPC1RAB9AKDM4ENOTUMDGAT1
SCHEMBL460873 0.81 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL12427246 0.81 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL10035781 0.79 NPC1 (0.66) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL18195112 0.79 NPC1 (0.66) NPC1RAB9AKDM4ES1PR1NOTUM
SCHEMBL2839508 0.79 S1PR1 (0.69) NPC1RAB9AKDM4ES1PR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
EP-4531838-A1 IMIDAZOPYRIDINE AND OXAZOLOPYRIDINE DERIVATIVES AND ANALOGS THEREOF, METHODS OF PREPARATION THEREOF, METHODS OF HIF-1/2A PATHWAY INHIBITION, AND INDUCTION OF FERROPTOSIS Kuda Therapeutics, Inc. (US) 2025-04-09 EP disclosed
WO-2023234970-A1 IMIDAZOPYRIDINE AND OXAZOLOPYRIDINE DERIVATIVES AND ANALOGS THEREOF, METHODS OF PREPARATION THEREOF, METHODS OF HIF-1/2A PATHWAY INHIBITION, AND INDUCTION OF FERROPTOSIS KUDA Therapeutics, Inc. (US) 2023-12-07 WO disclosed
US-20220281862-A1 Imidazopyridine and Oxazolopyridine Derivatives and Analogs Thereof, Methods of Preparation Thereof, Methods of HIF-2A Pathway Inhibition, and Induction of Ferroptosis KUDA Therapeutics, Inc. 2022-09-08 US disclosed
CN-109438433-B Myricetin derivative containing amide oxadiazole, preparation method and application thereof 贵州大学 2022-02-15 CN disclosed
CN-109438433-A A kind of myricetin derivative, the preparation method and the usage of amide containing oxadiazoles 贵州大学 2019-03-08 CN disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20070244071-A1 Treatment of proliferative diseases MOUNT SINAI HOSPITAL (CA) 2007-10-18 US disclosed
US-20070244071-A1 Treatment of proliferative diseases MOUNT SINAI HOSPITAL (CA) 2007-10-18 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 (4 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-20220281862-A1 Imidazopyridine and Oxazolopyridine Derivatives and Analogs Thereof, Methods of Preparation Thereof, Methods of HIF-2A Pathway Inhibition, and Induction of Ferroptosis HIF1AN, HIF1A, EGLN2 NPC1 2512/4885RAB9A 3136/4885KDM4E 686/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 NPC1 3435/4885RAB9A 100/4885KDM4E 2054/4885
US-20070244071-A1 Treatment of proliferative diseases CCNO, CCNY, CCNI NPC1 406/4885RAB9A 1502/4885KDM4E 2806/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 NPC1 3435/4885RAB9A 100/4885KDM4E 2054/4885

“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.