SCHEMBL2844532

SCHEMBL2844532

COC(=O)C1c2ccccc2N(Cc2ccccc2)c2cccc(OS(=O)(=O)C(F)(F)F)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.39
DRD4 P21917 5/20 0.39
DRD3 P35462 5/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
TSHR P16473 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HTR5A P47898 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL2996951 0.87 HDAC4 (0.44) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2870534 0.79 CACNA1G (0.48) TSHRCACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL5705543 0.78 DRD2 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7043966 0.77 LMNA (0.33) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7796579 0.75 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7787043 0.75 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6256438 0.75 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7796561 0.75 FABP7 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7793782 0.74 DRD2 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7024588 0.74 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5

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-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 DRD2 4025/4885DRD4 3818/4885DRD3 2740/4885

“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.