SCHEMBL169873

SCHEMBL169873

CC(C)NC(=S)NC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HDAC4 P56524 2/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD11B1 P28845 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
P2RX7 Q99572 1/20 0.44
CTSL P07711 2/20 0.44
AKR1C1 Q04828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL13619974 0.86 ALDH1A1 (0.48) ALDH1A1LMNANPSR1HDAC4GAA
SCHEMBL19531832 0.84 ALDH1A1 (0.79) ALDH1A1LMNANPSR1HDAC4HSD11B1
SCHEMBL172001 0.83 HDAC4 (0.50) ALDH1A1LMNANPSR1HDAC4HSD11B1
SCHEMBL14019859 0.81 EPHX1 (0.56) ALDH1A1LMNANPSR1HDAC4GAA
SCHEMBL14817498 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNANPSR1HDAC4GAA
SCHEMBL17993499 0.76 HDAC4 (0.53) ALDH1A1LMNANPSR1HDAC4GAA
SCHEMBL2363240 0.76 HDAC4 (0.59) ALDH1A1LMNANPSR1HDAC4HSD11B1
SCHEMBL24571816 0.75 ALDH1A1 (0.61) ALDH1A1LMNANPSR1HDAC4HSD11B1
SCHEMBL9830124 0.75 ALDH1A1 (0.61) ALDH1A1LMNAHDAC4HSD11B1THRB
SCHEMBL9830132 0.75 ALDH1A1 (0.61) ALDH1A1LMNAHDAC4HSD11B1THRB

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
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
WO-2009026717-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2009-03-05 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 (4 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885LMNA 3109/4885NPSR1 4396/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885LMNA 3109/4885NPSR1 4396/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885LMNA 4752/4885NPSR1 1765/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET ALDH1A1 3139/4885LMNA 4752/4885NPSR1 1765/4885

“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.