SCHEMBL3523645

SCHEMBL3523645

CCC(C)C(=O)Nc1cc2ccccc2c(-c2ccccc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NR1I3 Q14994 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ABL1 P00519 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
SCHEMBL3526000 0.88 TSPO (0.52) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL30539311 0.75 TSPO (0.65) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL1170339 0.75 TSPO (0.65) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10985687 0.75 TSPO (0.65) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10987741 0.75 TSPO (0.65) TSPOKMT2AMEN1CYP3A4CYP2C9
(R)Pk-11195 SCHEMBL15118334 0.72 TSPO (1.00) TSPOKMT2AMEN1CYP3A4CYP2C9
(R)Pk-11195 SCHEMBL12790424 0.72 TSPO (1.00) TSPOKMT2AMEN1CYP3A4CYP2C9
Pk-11195 SCHEMBL31060347 0.72 TSPO (1.00) TSPOKMT2AMEN1CYP3A4CYP2C9
Pk-11195 SCHEMBL29354252 0.72 TSPO (1.00) TSPOKMT2AMEN1CYP3A4CYP2C9
(R)Pk-11195 SCHEMBL29477174 0.72 TSPO (1.00) TSPOKMT2AMEN1CYP3A4CYP2C9

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 TSPO 1625/4885KMT2A 3252/4885MEN1 4188/4885

“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.