SCHEMBL4581067

SCHEMBL4581067

O=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)C=CC=C1CCN(Cc2ccc3c(c2)OCO3)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
FAAH O00519 2/20 0.39
TSHR P16473 2/20 0.39
MCHR1 Q99705 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL4581057 1.00 DRD2 (0.48) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4581049 1.00 DRD2 (0.48) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4579926 0.91 HDAC1 (0.52) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4580468 0.91 HDAC1 (0.52) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4579931 0.91 HDAC1 (0.52) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4579936 0.91 HDAC1 (0.52) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL14155947 0.90 DRD2 (0.44) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4581062 0.83 DRD2 (0.51) DRD2DRD4SMN1; SMN2LMNAHDAC1
SCHEMBL4580142 0.81 FAAH (0.59) DRD2DRD4SMN1; SMN2LMNAALDH1A1
SCHEMBL8228556 0.79 HDAC1 (0.52) DRD2DRD4SMN1; SMN2HDAC1HDAC2

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-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 DRD2 4756/4885DRD4 4581/4885SMN1; SMN2 3671/4885

“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.