SCHEMBL2199482

SCHEMBL2199482

O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TACR3 P29371 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL22957919 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL8351293 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDKMT2AGAA
SCHEMBL163232 0.81 EPHX2 (0.59) ALDH1A1KDM4EHPGDKMT2AGAA
SCHEMBL28898216 0.79 GABRA1 (0.62) ALDH1A1KDM4EHPGDKMT2AL3MBTL1
SCHEMBL2310807 0.79 GABRA1 (0.62) ALDH1A1KDM4EHPGDKMT2AL3MBTL1
SCHEMBL4656202 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL800064 0.79 EPHX2 (0.56) ALDH1A1KDM4EHPGDKMT2AL3MBTL1
SCHEMBL3723522 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AGAAL3MBTL1NPC1
SCHEMBL31324479 0.76 TACR3 (0.62) ALDH1A1HPGDKMT2AGAAMEN1
Hydrochloric Acid SCHEMBL6998897 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AGAAL3MBTL1NPC1

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-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 ALDH1A1 3451/4885KDM4E 1233/4885HPGD 3831/4885

“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.