SCHEMBL974118

SCHEMBL974118

O=C(NO)c1cc(-c2cccc(N3CCOCC3)c2)n(Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.52
▸ SLC16A1 P53985 1/20 0.52
▸ MCTS1 Q9ULC4 1/20 0.52
▸ HDAC1 Q13547 3/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.47
▸ SMPD1 P17405 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ ATR Q13535 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ KMO O15229 1/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42

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
SCHEMBL976450 0.85 CNR1 (0.54) HDAC1KDM1AMALT1SMPD1HDAC6
SCHEMBL15579547 0.81 MALT1 (0.55) HDAC1MALT1SMPD1HDAC6HDAC3
SCHEMBL976287 0.80 MALT1 (0.56) HDAC1MALT1SMPD1HDAC6HDAC3
SCHEMBL15474331 0.79 MALT1 (0.58) SLC16A3SLC16A1MCTS1HDAC1MALT1
SCHEMBL974577 0.77 SMPD1 (0.60) HDAC1SMPD1HDAC6HDAC3HDAC2
SCHEMBL1075033 0.76 MMP2 (0.47) HDAC1TRPV4HDAC6HDAC3HDAC2
SCHEMBL15474346 0.76 HDAC1 (0.43) SLC16A3SLC16A1MCTS1HDAC1KDM1A
SCHEMBL6583384 0.69 ITGB3 (0.64) KMOMEN1KMT2A
SCHEMBL11210288 0.68 LMNA (0.68) TSHRKMO
SCHEMBL15472788 0.68 MALT1 (0.46) SLC16A3SLC16A1MCTS1MALT1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SLC16A3 1988/4885SLC16A1 1257/4885MCTS1 3090/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 SLC16A3 1988/4885SLC16A1 1257/4885MCTS1 3090/4885

“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.

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