SCHEMBL4144513

SCHEMBL4144513

CCOC(=O)C(=CNCCN(C)C)C(=O)c1cc(I)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALOX12 P18054 1/20 0.40
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 3/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACKR3 P25106 1/20 0.33

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
SCHEMBL4144510 1.00 MAPT (0.40) MAPTALOX12CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL13774398 1.00 MAPT (0.40) MAPTALOX12CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL3768873 0.87 MAPT (0.43) MAPTALOX12ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3768874 0.87 MAPT (0.43) MAPTALOX12ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3290298 0.84 KMT2A (0.39) MAPTCYP2D6ALDH1A1MEN1KMT2A
SCHEMBL4154025 0.84 KMT2A (0.39) MAPTCYP2D6ALDH1A1MEN1KMT2A
SCHEMBL15085007 0.82 MAPT (0.40) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL12961518 0.81 MEN1 (0.41) MAPTMEN1KMT2AGAANPSR1
SCHEMBL1430059 0.81 MEN1 (0.41) MAPTMEN1KMT2AGAANPSR1
SCHEMBL1430057 0.81 MEN1 (0.41) MAPTMEN1KMT2AGAANPSR1

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 MAPT 3813/4885ALOX12 1231/4885CYP2D6 36/4885

“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.