SCHEMBL875002

SCHEMBL875002

O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.55
HSPB1 P04792 2/20 0.53
ALDH1A1 P00352 1/20 0.49
PDE7A Q13946 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 1/20 0.45
HDAC3 O15379 2/20 0.44
BRAF P15056 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL31009414 0.84 MEN1 (0.51) PLA2G7ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1284197 0.84 HSPB1 (0.58) PLA2G7HSPB1ALDH1A1KDM4EMEN1
SCHEMBL10830426 0.83 PDE7A (0.53) PLA2G7HSPB1ALDH1A1PDE7AKDM4E
SCHEMBL29563911 0.82 HSD17B10 (0.60) ALDH1A1PDE7AKMT2AHSD17B10RORC
SCHEMBL1148427 0.82 HSD17B10 (0.60) ALDH1A1PDE7AKMT2AHSD17B10RORC
Selenium SCHEMBL10605380 0.81 HSD17B10 (0.58) ALDH1A1PDE7AKMT2AHSD17B10RORC
SCHEMBL5406989 0.81 HSD17B10 (0.63) HSPB1ALDH1A1PDE7AKDM4EMEN1
SCHEMBL21835328 0.80 HSPB1 (0.62) HSPB1ALDH1A1PDE7AKDM4EMEN1
SCHEMBL9107491 0.80 PLA2G7 (0.46) PLA2G7HDAC3BRAFHDAC4HDAC1
SCHEMBL9106586 0.80 TLR4 (0.56) PLA2G7CHEK2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 US claimed
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 NEUROPORE THERAPIES, INC. (US) 2021-09-23 US disclosed
US-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 NEUROPORE THERAPIES, INC. (US) 2021-09-23 US disclosed
EP-3810133-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 Neuropore Therapies, Inc. (US) 2021-04-28 EP disclosed
CN-112512523-A Methods of treating conditions associated with neurodegenerative disorders using inhibitors of OAT3 神经孔疗法股份有限公司 2021-03-16 CN disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 US disclosed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 EP disclosed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 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 (3 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-20210290597-A1 METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3 OAT, CLN6, SLC2A3 PLA2G7 1452/4885HSPB1 753/4885ALDH1A1 1925/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PLA2G7 22/4885HSPB1 4175/4885ALDH1A1 3675/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 PLA2G7 22/4885HSPB1 4175/4885ALDH1A1 3675/4885

“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.