SCHEMBL5207675

SCHEMBL5207675

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
MAPT P10636 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 3/20 0.57
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 3/20 0.55
XBP1 P17861 1/20 0.55
HSP90AA1 P07900 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL5207667 1.00 TP53 (0.60) TP53MAPTMEN1KMT2AHTT
SCHEMBL14498323 1.00 TP53 (0.60) TP53MAPTMEN1KMT2AHTT
SCHEMBL5204153 0.90 ALDH1A1 (0.63) TP53MAPTMEN1KMT2AHTT
SCHEMBL5204156 0.90 ALDH1A1 (0.63) TP53MAPTMEN1KMT2AHTT
SCHEMBL5204164 0.90 ALDH1A1 (0.63) TP53MAPTMEN1KMT2AHTT
SCHEMBL2879006 0.87 MAPT (0.67) TP53MAPTMEN1KMT2AHTT
SCHEMBL13377982 0.87 MAPT (0.67) TP53MAPTMEN1KMT2AHTT
SCHEMBL2879004 0.87 MAPT (0.67) TP53MAPTMEN1KMT2AHTT
SCHEMBL28825701 0.84 L3MBTL1 (0.59) TP53MAPTMEN1KMT2AHTT
SCHEMBL2884097 0.83 MAPT (0.55) TP53MAPTMEN1KMT2AHTT

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 9 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
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 US disclosed
EP-1458682-B1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-08-30 EP disclosed
US-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases BAYER HEALTHCARE AG 2005-07-28 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
EP-1458682-A1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES Bayer HealthCare AG (DE) 2004-09-22 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO disclosed
WO-2003053930-A1 1,4-DIHYDRO-1,4-DIPHENYLPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases SERPINB1, ELANE, MPO TP53 4544/4885MAPT 4080/4885MEN1 4872/4885

“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.