SCHEMBL166050

SCHEMBL166050

N#CC(C(=O)C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.37
S1PR3 Q99500 1/20 0.36
CNR2 P34972 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL8765615 0.84 LMNA (0.49) HDAC4HDAC7HDAC5ALDH1A1HTT
SCHEMBL1008191 0.83 MDM2 (0.40) L3MBTL1HTTS1PR3LMNATSHR
SCHEMBL7271607 0.83 GRN (0.35)
SCHEMBL10686874 0.83 BRD4 (0.41) HDAC4HDAC7HDAC5ALDH1A1POLB
SCHEMBL6097343 0.82 TSHR (0.44) HDAC4HDAC7HDAC5ALDH1A1L3MBTL1
SCHEMBL20767316 0.82 SLC6A3 (0.41) ALDH1A1HTTS1PR3LMNASMN1; SMN2
SCHEMBL2542929 0.80 HDAC4 (0.47) HDAC4HDAC7HDAC5ALDH1A1L3MBTL1
SCHEMBL11810764 0.80 HDAC4 (0.47) HDAC4HDAC7HDAC5ALDH1A1L3MBTL1
SCHEMBL1005803 0.79 PPARD (0.33) ALDH1A1L3MBTL1S1PR3CNR2PDK1
SCHEMBL5729690 0.78 MAPT (0.41) ALDH1A1POLBHTTPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
CN-103228141-A Substituted fused pyrimidinones and dihydropyrimidinones BAYER IP GMBH 2013-07-31 CN disclosed
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 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 (2 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD HDAC4 3152/4885HDAC7 2509/4885HDAC5 3206/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD HDAC4 3152/4885HDAC7 2509/4885HDAC5 3206/4885

“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.