SCHEMBL1268439

SCHEMBL1268439

O=C1CC(CCc2ccccc2)CN1c1ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ ENPP2 Q13822 3/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ POLB P06746 3/20 0.32
▸ BPTF Q12830 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL1269182 0.90 TP53 (0.38) TP53LMNAENPP2POLBKMT2A
SCHEMBL1268426 0.87 LMNA (0.37) TP53LMNAMGLLPOLB
SCHEMBL1269350 0.80 PROKR1 (0.38) TP53LMNAGRM4HPGDPOLB
SCHEMBL1268804 0.77 PROKR1 (0.36) TP53LMNAPOLB
SCHEMBL1269328 0.77 HTR6 (0.36) TP53LMNAPOLBMEN1KMT2A
SCHEMBL1268280 0.77 PROKR1 (0.39) TP53LMNAPOLB
SCHEMBL1269223 0.76 HTR6 (0.41) —
SCHEMBL1269325 0.76 SMN1; SMN2 (0.40) LMNAPOLBMEN1KMT2A
SCHEMBL1269577 0.72 GRM5 (0.33) —
SCHEMBL1269243 0.72 MCHR1 (0.33) —

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP TP53 1224/4885LMNA 1199/4885GRM4 3396/4885

“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.

Send feedback