SCHEMBL168488

SCHEMBL168488

CC(C)C(=O)Nc1cc2c(c(-c3ccccc3Cl)c1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
PDK2 Q15119 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HTT P42858 1/20 0.38
LIMK1 P53667 1/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.36
GRM4 Q14833 1/20 0.36
USP28 Q96RU2 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3533607 0.88 KMT2A (0.42) KMT2APDK2SMN1; SMN2ALDH1A1HTT
SCHEMBL169287 0.79 NOTUM (0.42) KMT2APDK2SMN1; SMN2ALDH1A1HTT
SCHEMBL2129261 0.76 ITGB2 (0.42) SMN1; SMN2ALDH1A1MAPT
SCHEMBL16104413 0.75 RAB9A (0.42) KMT2APDK2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL169273 0.75 PDK2 (0.41) KMT2APDK2SMN1; SMN2KDM4ERECQL
SCHEMBL12545679 0.72 KMT2A (0.60) KMT2AALDH1A1KDM4EGLASLC2A1
SCHEMBL169185 0.70 PNMT (0.50) KMT2AALDH1A1MEN1MAPT
SCHEMBL30020645 0.67 KMT2A (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4EGLA
SCHEMBL23619758 0.67 KCNJ5 (0.46) KMT2AALDH1A1MEN1
SCHEMBL12545626 0.66 KMT2A (0.67) KMT2ASMN1; SMN2ALDH1A1KDM4EGLA

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 KMT2A 3252/4885PDK2 437/4885SMN1; SMN2 3964/4885

“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.