SCHEMBL4025940

SCHEMBL4025940

O=C(Cc1ccccc1)NNC(=S)NC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
LMNA P02545 3/20 0.76
HTT P42858 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
HSP90AA1 P07900 1/20 0.76
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
GAA P10253 4/20 0.70
POLB P06746 3/20 0.68
KDM4E B2RXH2 5/20 0.67
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MITF O75030 1/20 0.60
CCR6 P51684 1/20 0.57

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
SCHEMBL4027858 0.90 KDM4E (0.74) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL15145920 0.87 GAA (0.71) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4029344 0.87 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4031975 0.87 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4031273 0.87 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4722661 0.83 KMT2A (0.79) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL19299518 0.82 KDM4E (0.71) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4031988 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL1569112 0.81 POLB (0.62) ALDH1A1SMN1; SMN2HTTTDP1CYP1A2
SCHEMBL11599578 0.81 KMT2A (0.86) ALDH1A1SMN1; SMN2CYP2C9GAAKDM4E

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
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
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP disclosed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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 4622/4885LMNA 4627/4885

“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.