SCHEMBL4535634

SCHEMBL4535634

O=C(NO)C(Oc1cccc2cccnc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
LMNA P02545 4/20 0.51
HDAC6 Q9UBN7 2/20 0.51
METAP2 P50579 2/20 0.51
METAP1 P53582 2/20 0.51
HSP90AA1 P07900 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.46
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 2/20 0.44

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
SCHEMBL4535585 0.80 F9 (0.47) HDAC6KMT2AALDH1A1KDM4E
SCHEMBL6027752 0.76 RAB9A (0.54) POLBLMNAHDAC6METAP2METAP1
SCHEMBL4533774 0.75 HDAC7 (0.46) POLBLMNAHDAC6SMN1; SMN2RAB9A
SCHEMBL31413306 0.74 MEN1 (0.56) POLBLMNAHDAC6METAP2METAP1
SCHEMBL4526444 0.74 KMT2A (0.51) POLBLMNAHDAC6L3MBTL1MEN1
SCHEMBL4533785 0.74 KMT2A (0.53) LMNAHDAC6L3MBTL1SMN1; SMN2MEN1
SCHEMBL4536701 0.74 MMP8 (0.48) LMNAHDAC6SMN1; SMN2KMT2ANPSR1
SCHEMBL4540199 0.74 ALDH1A1 (0.50) LMNAHDAC6L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4534368 0.74 ALDH1A1 (0.50) LMNAHDAC6L3MBTL1KMT2AALDH1A1
SCHEMBL9284195 0.72 LMNA (0.55) POLBLMNAHDAC6METAP2METAP1

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
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
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 POLB 425/4885LMNA 424/4885HDAC6 9/4885

“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.