SCHEMBL5744534

SCHEMBL5744534

O=C(O)c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.61
CASR P41180 1/20 0.55
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HTR7 P34969 2/20 0.52
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMO O15229 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.51
CSNK2A1 P68400 2/20 0.51
HPGD P15428 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3230823 0.88 HTR7 (0.63) EPHX2PRMT5WDR77KMT2AMEN1
SCHEMBL5744332 0.86 ALDH1A1 (0.67) EPHX2CASRPRMT5WDR77HTR7
SCHEMBL4844468 0.83 EPHX2 (0.56) EPHX2ALDH1A1LMNACSNK2A1HPGD
SCHEMBL5549334 0.80 MEN1 (0.68) EPHX2KMT2AMEN1CYP2C19MAPT
SCHEMBL15888237 0.80 MEP1B (0.53) EPHX2KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL13872559 0.78 KMT2A (0.50) EPHX2PRMT5WDR77KMT2AMEN1
SCHEMBL19623614 0.78 MEN1 (0.52) KMT2AMEN1HTR7CYP2C19LMNA
SCHEMBL3230830 0.78 MEN1 (0.52) EPHX2KMT2AMEN1HTR7CYP2C19
SCHEMBL13164567 0.78 RECQL (0.67) KMT2AMEN1CYP2C19MAPTLMNA
SCHEMBL25522780 0.78 MEN1 (0.52) EPHX2KMT2AMEN1HTR7CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ EPHX2 879/4885CASR 394/4885PRMT5 2569/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS EPHX2 323/4885CASR 593/4885PRMT5 2059/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK EPHX2 1733/4885CASR 819/4885PRMT5 1991/4885

“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.