SCHEMBL4264543

SCHEMBL4264543

C[C@H](NC(=O)O)c1ccc(C(O)C(C)(C)N(C)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.43
AOC3 Q16853 1/20 0.42
EPHX2 P34913 2/20 0.40
CNR2 P34972 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 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
SCHEMBL4272461 0.82 AOC3 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2196089 0.80 AOC3 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5064894 0.75 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EEPHX2
Chloromethane SCHEMBL29855624 0.72 HSD17B10 (0.59) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL249524 0.72 HSD17B10 (0.63) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL247742 0.72 HSD17B10 (0.63) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2672977 0.72 HSD17B10 (0.63) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4459970 0.70 HSD17B10 (0.61) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9718520 0.70 HSD17B10 (0.61) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL17571990 0.69 ALDH1A1 (0.61) MEN1KMT2AALDH1A1ACACBACACA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3180/4885KMT2A 904/4885ALDH1A1 3451/4885

“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.