SCHEMBL16856956

SCHEMBL16856956

C=C(C)c1nccc(NC(=O)C(C)(C)C)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CETP P11597 1/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL16856823 0.81 LMNA (0.44) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL7125030 0.80 L3MBTL1 (0.41) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL16377909 0.77 KDM4E (0.39) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL16857151 0.77 TOP2A (0.38) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL16857291 0.77 TOP2A (0.38) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL16857100 0.75 TMIGD3 (0.39) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL16857014 0.71 LMNA (0.34) TOP2ALMNAL3MBTL1CETPKDM4E
SCHEMBL620215 0.69 L3MBTL1 (0.41) TOP2ALMNAL3MBTL1KDM4EALDH1A1
SCHEMBL30940154 0.69 L3MBTL1 (0.41) TOP2ALMNAL3MBTL1KDM4EALDH1A1
SCHEMBL5677073 0.69 L3MBTL1 (0.41) TOP2ALMNAL3MBTL1CETPKDM4E

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
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 TOP2A 729/4885LMNA 1646/4885L3MBTL1 3294/4885

“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.