SCHEMBL822566

SCHEMBL822566

Cn1nc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 10/20 1.00
NR1H2 P55055 7/20 1.00
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
KDM4C Q9H3R0 2/20 0.67
HSD17B2 P37059 1/20 0.58
TDP2 O95551 1/20 0.57
RAF1 P04049 1/20 0.57
MAP2K1 Q02750 1/20 0.57
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL11590621 0.91 NR1H3 (0.83) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL17279740 0.90 NR1H3 (0.82) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL22307346 0.90 NR1H3 (0.82) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL11555265 0.89 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL19195939 0.87 NR1H3 (0.77) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL5202967 0.87 NR1H3 (0.75) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL11588467 0.84 NR1H2 (0.72) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL25599752 0.83 NR1H2 (0.71) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL11555168 0.83 NR1H3 (0.71) NR1H3NR1H2NPC1RAB9AKDM4C
SCHEMBL11556260 0.83 NR1H3 (0.71) NR1H3NR1H2NPC1RAB9AKDM4C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303503-A1 CELL ACTIVATABLE IRON CHELATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-28 US disclosed
WO-2021195064-A1 CELL ACTIVATABLE IRON CHELATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-30 WO disclosed
WO-2016002864-A1 TRIAZINE COMPOUND, METHOD FOR PRODUCING SAME, AND APPLICATION FOR SAME 東ソー株式会社 2016-01-07 WO disclosed
EP-2236499-B1 Heterocyclic compounds, and light-emitting element, light-emitting device, lighting device, and electronic appliance using the heterocyclic compounds SEMICONDUCTOR ENERGY LAB (JP) 2015-07-22 EP disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-8551625-B2 Derivative with heteroaromatic ring, and light-emitting element, light-emitting device, lighting device, and electronic device using derivative with heteroaromatic ring SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-08 US disclosed
US-8551625-B2 Derivative with heteroaromatic ring, and light-emitting element, light-emitting device, lighting device, and electronic device using derivative with heteroaromatic ring SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-08 US disclosed
US-8334061-B2 Heterocyclic compound, and light-emitting element, light-emitting device, lighting device, and electronic appliance using heterocyclic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-18 US disclosed
US-8334061-B2 Heterocyclic compound, and light-emitting element, light-emitting device, lighting device, and electronic appliance using heterocyclic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-18 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US disclosed
US-20100243959-A1 Derivative With Heteroaromatic Ring, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using Derivative With Heteroaromatic Ring SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 US disclosed
US-20100243959-A1 Derivative With Heteroaromatic Ring, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using Derivative With Heteroaromatic Ring SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 US disclosed
US-20100244672-A1 Heterocyclic Compound, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Appliance Using Heterocyclic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-30 US disclosed
US-20100244672-A1 Heterocyclic Compound, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Appliance Using Heterocyclic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-09-30 US disclosed
US-4164480-A POLYMER STABILIZERS EASTMAN KODAK COMPANY (US) 1979-08-14 US disclosed
US-4151169-A DECYCLIZATION, CYCLIZATION GRUPPO LEPETIT (IT) 1979-04-24 US disclosed
US-4119635-A SEDATIVES, HYPNOTICS, TRANQUILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-10-10 US disclosed
US-4043973-A PIGMENTS, COLORANTS, FILLERS, REINFORCING AGENTS EASTMAN KODAK COMPANY (US) 1977-08-23 US disclosed
US-3939115-A OXADIAZOLES EASTMAN KODAK COMPANY (US) 1976-02-17 US disclosed
US-3936419-A Multichromophoric ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1976-02-03 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 NR1H3 4825/4885NR1H2 4810/4885NPC1 3359/4885
US-20100244672-A1 Heterocyclic Compound, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Appliance Using Heterocyclic Compound LAGE3, HDAC11, HDAC1 NR1H3 1925/4885NR1H2 1616/4885NPC1 3463/4885
US-20230303503-A1 CELL ACTIVATABLE IRON CHELATORS TFRC, SLC40A1, FECH NR1H3 1161/4885NR1H2 918/4885NPC1 988/4885
US-20100243959-A1 Derivative With Heteroaromatic Ring, and Light-Emitting Element, Light-Emitting Device, Lighting Device, and Electronic Device Using Derivative With Heteroaromatic Ring CYP1A1, AHR, CRY1 NR1H3 233/4885NR1H2 210/4885NPC1 3589/4885

“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.