SCHEMBL116629

SCHEMBL116629

CC(C)C(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
BRS3 P32247 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
C5AR1 P21730 1/20 0.45
AKT1 P31749 1/20 0.44
MYLK Q15746 1/20 0.44
MAPK14 Q16539 1/20 0.44
CLPP Q16740 3/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL116437 0.90 ALDH1A1 (0.51) LMNABRS3POLBKDM4ESMN1; SMN2
SCHEMBL3434578 0.87 ALDH1A1 (0.47) LMNAPOLBKDM4ESMN1; SMN2C5AR1
SCHEMBL115542 0.86 LMNA (0.50) LMNAPOLBKDM4ESMN1; SMN2C5AR1
SCHEMBL3524088 0.85 LMNA (0.47) LMNAPOLBKDM4ESMN1; SMN2C5AR1
SCHEMBL3434587 0.84 ALDH1A1 (0.58) LMNABRS3POLBKDM4ESMN1; SMN2
SCHEMBL167919 0.84 LMNA (0.46) LMNAPOLBKDM4ESMN1; SMN2C5AR1
SCHEMBL3528234 0.83 PRLHR (0.42) LMNAALDH1A1GAA
SCHEMBL3528638 0.81 MEN1 (0.37) LMNAMAPK14KMT2AGAAMEN1
SCHEMBL16104436 0.80 ALDH1A1 (0.42) LMNAPOLBKDM4ESMN1; SMN2C5AR1
SCHEMBL13076010 0.80 ALDH1A1 (0.48) LMNABRS3KDM4ESMN1; SMN2C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 EP disclosed
EP-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 EP disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
EP-2424532-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS Queen Mary and Westfield College (GB) 2012-03-07 EP disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 WO disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 LMNA 2393/4885BRS3 4538/4885POLB 3165/4885

“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.