SCHEMBL4033151

SCHEMBL4033151

COc1ccccc1CC(=O)NNC(=S)NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 6/20 0.57
LMNA P02545 5/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
HSP90AA1 P07900 1/20 0.54
HTT P42858 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL4031988 0.83 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL4031273 0.80 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL21981020 0.80 TAAR1 (0.65) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL4025940 0.78 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL13619977 0.76 ATM (0.59) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL27766295 0.74 ATM (0.60) SMN1; SMN2GAALMNAMAPTMEN1
SCHEMBL6848785 0.74 HTT (0.83) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL2605728 0.74 MEN1 (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15864226 0.73 TAAR1 (0.64) ALDH1A1GAAKDM4EMAPTMEN1
SCHEMBL16127142 0.73 EPHX1 (0.62) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1

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-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
JP-2005506299-A 2005-03-03 JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO claimed
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 ALDH1A1 1820/4885SMN1; SMN2 4622/4885GAA 938/4885

“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.