SCHEMBL4154025

SCHEMBL4154025

CCOC(=O)/C(=C/NN(C)C)C(=O)c1cc(I)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
DHODH Q02127 3/20 0.38
GAA P10253 4/20 0.37
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KYAT1 Q16773 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3290298 1.00 KMT2A (0.39) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL3290801 0.88 MAPT (0.46) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL3290800 0.88 MAPT (0.46) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL15085007 0.86 MAPT (0.40) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL4144510 0.84 MAPT (0.40) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL13774398 0.84 MAPT (0.40) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL4144513 0.84 MAPT (0.40) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL12961518 0.84 MEN1 (0.41) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL1430057 0.84 MEN1 (0.41) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL1430059 0.84 MEN1 (0.41) KMT2AMAPTMEN1NPSR1LMNA

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
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed
WO-2006050942-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KMT2A 3931/4885MAPT 3397/4885MEN1 1765/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KMT2A 4546/4885MAPT 3813/4885MEN1 2608/4885

“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.