SCHEMBL1075033

SCHEMBL1075033

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.46
▸ BRAF P15056 2/20 0.45
▸ PTGS2 P35354 3/20 0.45
▸ NPY5R Q15761 7/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ SLC6A9 P48067 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ SLC5A1 P13866 1/20 0.42
▸ AR P10275 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
SCHEMBL15576812 0.92 NPY5R (0.46) TRPV4BRAFPTGS2NPY5RRAF1
SCHEMBL15474346 0.91 HDAC1 (0.43) PTGS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3719425 0.88 LMNA (0.49) BRAFPTGS2PTGS1LMNASLC5A1
SCHEMBL976450 0.87 CNR1 (0.54) PTGS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL15472788 0.83 MALT1 (0.46) PTGS2LMNASLC5A1
SCHEMBL974577 0.79 SMPD1 (0.60) PTGS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2192750 0.76 PTGS2 (0.64) PTGS2PTGS1LMNAHTT
SCHEMBL974118 0.76 SLC16A3 (0.52) TRPV4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12418162 0.74 PTGS2 (0.66) PTGS2
SCHEMBL5739149 0.74 ALDH1A1 (0.66) LMNAHTTSLC6A9SLC6A5AR

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-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

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 MMP2 247/4885MMP13 520/4885TRPV4 4300/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MMP2 247/4885MMP13 520/4885TRPV4 4300/4885

“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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