SCHEMBL743582

SCHEMBL743582

Fc1cc(Cl)c(Cl)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.32
AHR P35869 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 2/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL30664072 1.00 CYP3A4 (0.36) CYP3A4ALDH1A1GAAAHRHPGD
SCHEMBL1494504 0.86 GAA (0.35) GAAAHR
SCHEMBL29472174 0.80 ALDH1A1 (0.53) CYP3A4ALDH1A1AHRHPGDHSD17B10
SCHEMBL18302718 0.79 GAA (0.32) GAAAHRKDM1AKDM1B
SCHEMBL20303393 0.79 MAPT (0.37) ALDH1A1GAAKDM1AKDM1B
SCHEMBL30543313 0.79 GAA (0.32) GAAAHRKDM1AKDM1B
SCHEMBL29428923 0.79 MAPT (0.37) ALDH1A1GAAKDM1AKDM1B
Fluoride SCHEMBL28376895 0.77 ALDH1A1 (0.50) CYP3A4ALDH1A1AHRHPGDHSD17B10
SCHEMBL23832925 0.75 HPGD (0.37) CYP3A4ALDH1A1GAAHPGDHSD17B10
SCHEMBL1494369 0.75 GAA (0.34) ALDH1A1GAAAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925111-A Organic compound and application thereof 北京鼎材科技有限公司 2023-10-24 CN disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230147279-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-11 US disclosed
US-20230147279-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-11 US disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
WO-2021185829-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 WO disclosed
WO-2021185712-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 WO disclosed
WO-2021122740-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-24 WO disclosed
US-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine NEKTAR THERAPEUTICS (US) 2020-11-24 US disclosed
US-20140256732-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS (US) 2014-09-11 US disclosed
US-8772479-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
US-8772479-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
US-8772479-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 US disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 US disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 US disclosed
EP-2430003-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS Nektar Therapeutics (US) 2012-03-21 EP disclosed
WO-2010132691-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS (US) 2010-11-18 WO disclosed
WO-2010132691-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS (US) 2010-11-18 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 (6 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-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 CYP3A4 1052/4885ALDH1A1 1101/4885GAA 3035/4885
US-10844076-B2 Derivatives of 6-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine KCNJ2, TRPC5, RYR2 CYP3A4 829/4885ALDH1A1 1704/4885GAA 2406/4885
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NOD2, HTT, CUL5 CYP3A4 359/4885ALDH1A1 3391/4885GAA 1674/4885
US-20140256732-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CYP3A4 625/4885ALDH1A1 2630/4885GAA 712/4885
US-20230147279-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, VDAC2, KCNC1 CYP3A4 307/4885ALDH1A1 649/4885GAA 2667/4885
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, CTCF, EED CYP3A4 185/4885ALDH1A1 628/4885GAA 2805/4885

“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.