SCHEMBL2224812

SCHEMBL2224812

CCCN(OC)C(=O)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.37
TP53 P04637 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
LPAR1 Q92633 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31

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
SCHEMBL2224559 0.86 HPGD (0.35) MLYCDHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL483124 0.79 MLYCD (0.57) MLYCDTP53EGFRERBB2HDAC1
SCHEMBL1642738 0.73 MLYCD (0.51) MLYCDHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL2225457 0.73 HPGD (0.38) MLYCDHPGDGAAALDH1A1RAB9A
SCHEMBL2678371 0.72 EGFR (0.56) MLYCDTP53EGFRERBB2HDAC1
SCHEMBL28557449 0.72 HPGD (0.47) HDAC1HDAC6HPGDGAAALDH1A1
SCHEMBL467330 0.71 HPGD (0.56) MLYCDHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL6898272 0.70 MLYCD (0.35) MLYCDEGFRERBB2HPGDALDH1A1
SCHEMBL27348022 0.70 TRPM8 (0.37) MLYCDHPGDALDH1A1CA12CA2
SCHEMBL21224990 0.70 EGFR (0.50) MLYCDEGFRERBB2HPGDGAA

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
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 MLYCD 2490/4885TP53 882/4885EGFR 888/4885

“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.