SCHEMBL169287

SCHEMBL169287

CC(=O)N1CCc2c(cc(NC(=O)C(C)C)cc2-c2ccccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
PTAFR P25105 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PDK2 Q15119 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL2129261 0.90 ITGB2 (0.42) SMN1; SMN2MAPTLMNAGAANAMPT
SCHEMBL16104413 0.89 RAB9A (0.42) KDM4ERECQLKMT2APOLBSMN1; SMN2
SCHEMBL169273 0.89 PDK2 (0.41) KDM4ERECQLKMT2APOLBSMN1; SMN2
SCHEMBL3528315 0.88 NOTUM (0.43) NOTUMKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3527784 0.79 CDK4 (0.44) RECQLSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL168488 0.79 KMT2A (0.41) KDM4ERECQLKMT2ASMN1; SMN2NPC1
SCHEMBL3524858 0.78 PDK2 (0.42) KMT2ASMN1; SMN2NPC1RAB9APDK2
SCHEMBL13076550 0.73 TMPRSS2 (0.46) KMT2ANPC1RAB9AGAAMEN1
SCHEMBL3434989 0.73 NAMPT (0.45) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3435000 0.72 ESR1 (0.44) RECQLNPC1RAB9ALMNAGAA

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 11 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
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 NOTUM 2777/4885KDM4E 2619/4885RECQL 1265/4885

“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.