SCHEMBL2841709

SCHEMBL2841709

Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
GHSR Q92847 1/20 0.62
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALOX12 P18054 1/20 0.58
LMNA P02545 1/20 0.57
PTGS2 P35354 1/20 0.57
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL20490520 0.91 ALDH1A1 (0.67) TP53MAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20006965 0.85 TP53 (0.75) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL12585052 0.82 MAPK1 (0.79) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL13501815 0.81 ALDH1A1 (0.84) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL20006962 0.79 TP53 (0.72) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL20006970 0.79 TP53 (1.00) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL20006969 0.78 MAPK1 (0.72) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL976467 0.78 TSHR (0.68) MAPK1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL2838357 0.77 NPC1 (0.60) TP53SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13501814 0.76 ALDH1A1 (0.68) TP53MAPK1SMN1; SMN2GHSRALDH1A1

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 7 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 claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
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 TP53 1559/4885MAPK1 2141/4885SMN1; SMN2 3638/4885

“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.