SCHEMBL2870534

SCHEMBL2870534

COC(=O)C1c2ccccc2N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL3859755 0.83 RXFP1 (0.49) CACNA1GCACNA1HCACNA1IALDH1A1KDM4E
SCHEMBL2873764 0.81 HDAC4 (0.60) CACNA1GCACNA1HCACNA1IALDH1A1KDM4E
SCHEMBL2844532 0.79 DRD2 (0.39) CACNA1GCACNA1HCACNA1ITSHRALDH1A1
SCHEMBL38661846 0.79 HDAC4 (0.67) TSHRHDAC4HDAC7HDAC5LMNA
SCHEMBL2992029 0.79 HDAC4 (0.67) TSHRHDAC4HDAC7HDAC5LMNA
SCHEMBL6023539 0.77 HDAC4 (0.47) TSHRHDAC4HDAC7HDAC5LMNA
SCHEMBL3772600 0.74 HDAC4 (0.55) TSHRALDH1A1KDM4EHDAC4HDAC7
SCHEMBL27850824 0.73 HDAC4 (0.51) CACNA1GCACNA1HCACNA1ITSHRALDH1A1
SCHEMBL2608501 0.73 P2RX1 (0.40) CACNA1GCACNA1HCACNA1ITSHRALDH1A1
SCHEMBL19971697 0.72 MEN1 (0.54) TSHRALDH1A1LMNAMEN1KMT2A

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 9 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
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US 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
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US 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 CACNA1G 3547/4885CACNA1H 3815/4885CACNA1I 2884/4885

“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.