SCHEMBL5202299

SCHEMBL5202299

O=C(CC(=O)N1CCCC1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.67
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 4/20 0.59
GAA P10253 2/20 0.59
XBP1 P17861 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
EPHX2 P34913 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL5205367 0.89 LMNA (0.66) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL5208545 0.89 LMNA (0.63) MEN1KMT2AMAPTGAAXBP1
SCHEMBL5239760 0.84 DPP4 (0.56) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL5142590 0.83 MAPT (0.77) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL31236338 0.83 MAPT (0.77) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL30986029 0.82 RAB9A (0.76) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL3423702 0.79 MAPT (0.70) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL5142569 0.79 MAPT (0.77) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL29410736 0.79 MAPT (0.70) RAB9AMEN1KMT2AL3MBTL1MAPT
SCHEMBL8395323 0.78 MEN1 (0.68) RAB9AMEN1KMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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 (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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 RAB9A 1631/4885MEN1 4426/4885KMT2A 2664/4885

“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.