SCHEMBL2129261

SCHEMBL2129261

CC(C)C(=O)Nc1cc2c(c(-c3ccccc3Cl)c1)CCN(C(=O)c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.42
ICAM1 P05362 5/20 0.42
ITGAL P20701 5/20 0.42
ALDH1A1 P00352 1/20 0.42
NPY2R P49146 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MAPT P10636 1/20 0.39
PDE4B Q07343 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL169287 0.90 NOTUM (0.42) ALDH1A1LMNAGAANAMPTSMN1; SMN2
SCHEMBL3527784 0.89 CDK4 (0.44) ALDH1A1LMNANAMPTSMN1; SMN2PLA2G7
SCHEMBL169273 0.86 PDK2 (0.41) LMNAGAASMN1; SMN2MAPT
SCHEMBL16104413 0.86 RAB9A (0.42) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL3528315 0.79 NOTUM (0.43) ALDH1A1LMNANAMPTSMN1; SMN2MAPT
SCHEMBL168488 0.76 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPT
SCHEMBL3524858 0.75 PDK2 (0.42) NAMPTSMN1; SMN2
SCHEMBL3528234 0.74 PRLHR (0.42) ALDH1A1LMNAGAAPTGDR2
SCHEMBL23620058 0.70 P2RX4 (0.53) ALDH1A1LMNA
SCHEMBL30812845 0.70 P2RX4 (0.53) ALDH1A1LMNA

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 9 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
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 ITGB2 4703/4885ICAM1 1445/4885ITGAL 4492/4885

“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.