SCHEMBL210357

SCHEMBL210357

COc1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TUBB4A P04350 8/20 0.55
TUBB P07437 8/20 0.55
TUBA3C P0DPH7 8/20 0.55
TUBA1B P68363 8/20 0.55
TUBA4A P68366 8/20 0.55
TUBB4B P68371 8/20 0.55
TUBB3 Q13509 8/20 0.55
TUBB2A Q13885 8/20 0.55
TUBB8 Q3ZCM7 8/20 0.55
TUBA3E Q6PEY2 8/20 0.55
TUBA1A Q71U36 8/20 0.55
TUBA1C Q9BQE3 8/20 0.55
TUBB6 Q9BUF5 8/20 0.55
TUBB2B Q9BVA1 8/20 0.55
TUBB1 Q9H4B7 8/20 0.55
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL2605630 0.86 LMNA (0.73) LMNACASP3SENP8SENP7SENP6
SCHEMBL8017650 0.85 LMNA (0.61) LMNACASP3SENP8SENP7SENP6
SCHEMBL4821171 0.83 TUBB1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7368386 0.83 TTR (0.58) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1308823 0.82 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27595882 0.82 LMNA (0.69) LMNACASP3SENP8SENP7SENP6
SCHEMBL30716507 0.81 L3MBTL1 (0.59) LMNACASP3SENP8SENP7SENP6
SCHEMBL4108486 0.81 L3MBTL1 (0.59) LMNACASP3SENP8SENP7SENP6
SCHEMBL4824442 0.79 TUBB4A (0.60) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1308130 0.79 ABCB1 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1962/4885TUBB4A 933/4885TUBB 756/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 LMNA 1851/4885TUBB4A 850/4885TUBB 810/4885

“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.