SCHEMBL3524088

SCHEMBL3524088

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 7/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKT1 P31749 1/20 0.43
MYLK Q15746 1/20 0.43
MAPK14 Q16539 1/20 0.43
C5AR1 P21730 1/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ADORA1 P30542 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL115542 0.95 LMNA (0.50) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL116437 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL3433769 0.85 MAPT (0.42) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL116629 0.85 LMNA (0.47) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL115543 0.84 AKT1 (0.51) LMNAAKT1MYLKMAPK14C5AR1
SCHEMBL3434578 0.84 ALDH1A1 (0.47) LMNAALDH1A1MAPTAKT1MYLK
SCHEMBL167919 0.81 LMNA (0.46) LMNAALDH1A1MAPTAKT1MYLK
SCHEMBL3434587 0.81 ALDH1A1 (0.58) LMNAALDH1A1MAPTAKT1MYLK
SCHEMBL3435180 0.79 ADORA1 (0.43) HTTMAPK14SMN1; SMN2ADORA1L3MBTL1
SCHEMBL16104436 0.78 ALDH1A1 (0.42) LMNAALDH1A1MAPTHTTNPSR1

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 4 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
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
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 2393/4885ALDH1A1 2122/4885MAPT 2931/4885

“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.