SCHEMBL6288754

SCHEMBL6288754

O=C(O)C1=Cc2cc(Cc3ccc(F)c(F)c3)cnc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 3/20 0.37
VNN1 O95497 1/20 0.36
FYN P06241 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
JAK2 O60674 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
PTPN1 P18031 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP1 P09874 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL6288797 0.69 MEN1 (0.46) KDM5AKDM5BS1PR1S1PR3VNN1
SCHEMBL6288983 0.69 PTGER4 (0.40) S1PR3MAOB
SCHEMBL6289393 0.68 KDM5A (0.40) KDM5AKDM5BS1PR1S1PR3VNN1
SCHEMBL6289350 0.67 KDM5A (0.45) KDM5AKDM5BS1PR1S1PR3VNN1
SCHEMBL6292132 0.65 LTA4H (0.31) CYP11B1CYP11B2
SCHEMBL3299911 0.64 CYP17A1 (0.52) KDM5AKDM5BMAOAMAOBCYP11B1
SCHEMBL10612341 0.64 TBXAS1 (0.51)
SCHEMBL21395025 0.63 NPC1 (0.45) KDM5AKDM5BVNN1HDAC1HDAC6
SCHEMBL21384222 0.62 MAPK1 (0.49) KDM5AKDM5BVNN1FYNMAOA
SCHEMBL21384066 0.62 MPO (0.44) KDM5AKDM5BFYNGPR52CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 KDM5A 899/4885KDM5B 949/4885S1PR1 1241/4885

“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.