SCHEMBL2565889

SCHEMBL2565889

CCOC(=O)c1[nH]cc(C)c1N=C=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GRM6 O15303 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL2566948 0.87 GABRA1 (0.41) KDM4EGRM6CYP1A2CYP2C19CYP2C9
SCHEMBL951646 0.74 ALDH1A1 (0.52) KDM4EMEN1KMT2AGAATSHR
SCHEMBL4107701 0.74 CYP1A2 (0.52) KDM4ECYP1A2CYP2C19CYP2C9HPGD
SCHEMBL2564768 0.73 GRM6 (0.41) KDM4EGRM6CYP1A2CYP2C19CYP2C9
SCHEMBL11898802 0.73 HPGD (0.46) KDM4ECYP1A2CYP2C19CYP2C9HPGD
SCHEMBL2576551 0.71 ALDH1A1 (0.47) KDM4ECYP1A2CYP2C19CYP2C9HPGD
SCHEMBL16236931 0.71 KDM4E (0.45) KDM4ECYP1A2CYP2C19CYP2C9HPGD
SCHEMBL9423139 0.71 CYP1A2 (0.49) KDM4ECYP1A2CYP2C19CYP2C9HPGD
SCHEMBL2572855 0.71 ALDH1A1 (0.44) KDM4EGRM6CYP1A2CYP2C19CYP2C9
SCHEMBL8909172 0.70 CYP1A2 (0.47) KDM4ECYP1A2CYP2C19CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES KDM4E 2686/4885GRM6 3117/4885CYP1A2 106/4885

“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.