SCHEMBL1808985

SCHEMBL1808985

COC(=S)Cc1nc(OC)cc(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
PDE2A O00408 2/20 0.34
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 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
SCHEMBL8943071 0.82 KDM4E (0.41) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1810650 0.79 MTNR1A (0.40)
SCHEMBL8686002 0.77 CYP1A2 (0.50) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5092329 0.76 CYP1A2 (0.48) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1810102 0.75 LMNA (0.44) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1720666 0.74 CYP1A2 (0.52) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL7013448 0.74 ALDH1A1 (0.50) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL8943069 0.73 CYP1A2 (0.46) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13738921 0.73 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5025130 0.72 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 CYP1A2 533/4885KDM4E 2296/4885ALDH1A1 2661/4885

“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.