SCHEMBL6525473

SCHEMBL6525473

O=C(CCOCc1ccccc1)c1c(O)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 1/20 0.50
SERPINE1 P05121 1/20 0.48
GSK3B P49841 1/20 0.48
CSF1R P07333 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 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
SCHEMBL6515555 0.94 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6516714 0.84 GSK3B (0.54) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6518138 0.84 GSK3B (0.56) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6522334 0.82 GSK3B (0.56) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10647724 0.75 KDM4E (0.63) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6519951 0.75 GSK3B (0.58) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL11375916 0.75 KDM4E (0.61) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL6521717 0.71 GSK3B (0.49) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23510959 0.71 GRIN2D (0.58) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23511153 0.71 ALDH1A1 (0.66) MEN1ALDH1A1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 MEN1 1973/4885ALDH1A1 4635/4885MAPT 3744/4885

“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.