SCHEMBL4580704

SCHEMBL4580704

O=C1CCN(Cc2ccc3c(c2)OCO3)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.59
KMT2A Q03164 2/20 0.52
PKM P14618 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 3/20 0.51
USP2 O75604 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
NFKB1 P19838 1/20 0.51
SLC6A2 P23975 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6333504 0.91 CMA1 (0.62) CMA1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL108678 0.81 KDM4E (0.70) CMA1KMT2ATSHRKDM4EUSP2
SCHEMBL18192340 0.80 ALDH1A1 (0.71) KMT2APKMTSHRALDH1A1KDM4E
SCHEMBL8170046 0.78 KDM4E (0.62) CMA1KMT2ATSHRALDH1A1KDM4E
SCHEMBL10625240 0.77 ALDH1A1 (0.51) CMA1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6331784 0.77 CMA1 (0.52) CMA1KMT2APKMTSHRSMN1; SMN2
SCHEMBL6482711 0.76 MEN1 (0.61) CMA1KMT2AALDH1A1KDM4EUSP2
SCHEMBL6975560 0.76 ALDH1A1 (0.54) CMA1KMT2APKMTSHRALDH1A1
Hydrochloric Acid SCHEMBL11639736 0.76 TSHR (0.52) KMT2ATSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3048314 0.76 LTA4H (0.59) KMT2APKMTSHRALDH1A1MEN1

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 6 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CMA1 1008/4885KMT2A 52/4885PKM 2118/4885

“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.