SCHEMBL1374152

SCHEMBL1374152

CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)c([N+](=O)[O-])c1)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 6/20 0.37
GAA P10253 2/20 0.36
MMP8 P22894 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
F2 P00734 1/20 0.33
BACE1 P56817 1/20 0.33
RAB9A P51151 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL1374269 0.86 MMP8 (0.38) L3MBTL1ALDH1A1GAAMMP8BACE1
SCHEMBL1372697 0.85 MMP8 (0.37) LMNAL3MBTL1ALDH1A1GAAMMP8
SCHEMBL1896656 0.85 RORC (0.37) LMNAL3MBTL1ALDH1A1GAAMMP8
SCHEMBL1374210 0.84 LDHA (0.39) L3MBTL1ALDH1A1GAAMMP8KMT2A
SCHEMBL27962068 0.81 MME (0.47) L3MBTL1ALDH1A1GAAMMP8
SCHEMBL1370358 0.81 MME (0.47) L3MBTL1ALDH1A1GAAMMP8
SCHEMBL9448762 0.79 MMP8 (0.41) LMNAL3MBTL1ALDH1A1MMP8
SCHEMBL1374077 0.77 MAPT (0.39) L3MBTL1ALDH1A1GAAMMP8KMT2A
SCHEMBL1895025 0.75 MME (0.46) L3MBTL1ALDH1A1GAAMMP8SMN1; SMN2
SCHEMBL9845999 0.75 FFAR1 (0.41) LMNAL3MBTL1ALDH1A1GAAMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
US-8921379-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-13 US disclosed
US-8592431-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
EP-2384327-B1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8283353-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-09 US disclosed
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-12-01 US disclosed
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-11-24 US disclosed
EP-2384327-A1 FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US disclosed
WO-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 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 (4 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-20140046056-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LMNA 2794/4885L3MBTL1 4346/4885ALDH1A1 1050/4885
US-20110288087-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LMNA 2794/4885L3MBTL1 4346/4885ALDH1A1 1050/4885
US-20110294832-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LMNA 2794/4885L3MBTL1 4346/4885ALDH1A1 1050/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 LMNA 2794/4885L3MBTL1 4346/4885ALDH1A1 1050/4885

“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.