SCHEMBL26422291

SCHEMBL26422291

CC(=O)CC[C@H](NC(=O)c1cc(Cl)c(N(C)Cc2cnc3nc(N)nc(N)c3n2)c(Cl)c1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.67
NCOA3 Q9Y6Q9 2/20 0.67
KDM4E B2RXH2 1/20 0.67
TLR4 O00206 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
TYMS P04818 1/20 0.67
GLA P06280 1/20 0.67
POLB P06746 1/20 0.67
HMGB1 P09429 1/20 0.67
MAPT P10636 1/20 0.67
FOLR2 P14207 1/20 0.67
FOLR1 P15328 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ALOX12 P18054 1/20 0.67
GART P22102 1/20 0.67
APEX1 P27695 1/20 0.67

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
SCHEMBL10653854 0.94 DHFR (0.75) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL160042 0.94 DHFR (0.75) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL26422313 0.92 DHFR (0.69) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL31237427 0.89 DHFR (0.70) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL26422319 0.87 DHFR (0.67) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL12082162 0.86 DHFR (0.89) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL13524536 0.86 DHFR (0.89) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL12603442 0.86 DHFR (0.89) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL20228929 0.86 DHFR (0.77) DHFRNCOA3KDM4ETLR4MEN1
SCHEMBL5325480 0.86 DHFR (0.77) DHFRNCOA3KDM4ETLR4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129487-A1 SMALL MOLECULE BCL-2 FUNCTIONAL CONVERTERS AS CANCER THERAPEUTICS OREGON STATE UNIVERSITY (US) 2023-04-27 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 (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-20230129487-A1 SMALL MOLECULE BCL-2 FUNCTIONAL CONVERTERS AS CANCER THERAPEUTICS BCL2, BCL2L1, BCL2L13 DHFR 232/4885NCOA3 1453/4885KDM4E 3276/4885

“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.