SCHEMBL4142365

SCHEMBL4142365

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 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
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KYAT1 Q16773 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL4142368 1.00 NPSR1 (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13774399 1.00 NPSR1 (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9562337 0.84 GAA (0.41) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL9221714 0.84 GAA (0.41) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL3290298 0.84 KMT2A (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL4154025 0.84 KMT2A (0.39) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL12931139 0.83 MEN1 (0.36) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL13774398 0.80 MAPT (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL4144510 0.80 MAPT (0.40) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL4144513 0.80 MAPT (0.40) NPSR1MAPTMEN1KMT2ALMNA

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 3 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
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 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 (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-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS NPSR1 4161/4885MAPT 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.