SCHEMBL16857014

SCHEMBL16857014

Cn1nccc1-c1nccc(NC(=O)C(C)(C)C)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
TOP2A P11388 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CETP P11597 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
PORCN Q9H237 1/20 0.32
ABL1 P00519 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ATR Q13535 1/20 0.32
GRM4 Q14833 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
SCHEMBL16856823 0.76 LMNA (0.44) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL7125030 0.75 L3MBTL1 (0.41) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL16377909 0.72 KDM4E (0.39) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL16857291 0.72 TOP2A (0.38) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL16857151 0.72 TOP2A (0.38) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL16856956 0.71 TOP2A (0.38) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL16857100 0.70 TMIGD3 (0.39) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL29955868 0.69 LMNA (0.40) LMNATOP2AL3MBTL1KDM4ECETP
SCHEMBL30868944 0.68 ATR (0.38) ABL1ATR
SCHEMBL27001165 0.67 KMT2A (0.53) L3MBTL1KDM4EMAPTTSHRHSD17B10

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 LMNA 1646/4885TOP2A 729/4885HDAC8 510/4885

“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.