SCHEMBL660889

SCHEMBL660889

O=C(O)c1cc(C2CC2)c(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.55
GPR35 Q9HC97 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NOTUM Q6P988 4/20 0.35
BCL2L1 Q07817 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL1422730 0.79 GPR35 (0.39) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL10148360 0.74 DAO (0.55) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL1782124 0.73 GPR35 (0.37) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL1783320 0.73 GPR35 (0.37) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL1784916 0.73 GPR35 (0.37) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL32685862 0.72 ALDH1A1 (0.39) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL788050 0.71 DAO (1.00) DAOGPR35ALDH1A1KDM4EMEN1
SCHEMBL15566073 0.71 DAO (0.35) DAOGSK3B
SCHEMBL17423116 0.71 SCN9A (0.47) DAOMAPT
Hydrochloric Acid SCHEMBL8935127 0.70 DAO (0.95) DAOGPR35ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DAO 406/4885GPR35 626/4885ALDH1A1 963/4885

“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.