SCHEMBL2420100

SCHEMBL2420100

CC(C)(CO)COc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 6/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.36
F2 P00734 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2416326 0.87 ALDH1A1 (0.45) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2414346 0.86 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2416702 0.85 ALDH1A1 (0.40) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL15972571 0.85 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL13476058 0.84 ALDH1A1 (0.46) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL18174932 0.84 ALDH1A1 (0.46) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL13476059 0.83 NPSR1 (0.46) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL621795 0.82 ALDH1A1 (0.40) ALDH1A1HTTKMT2ARAB9AMEN1
SCHEMBL2415413 0.82 ALDH1A1 (0.41) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL619555 0.81 ALDH1A1 (0.40) ALDH1A1HTTKMT2ARAB9ANPC1

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
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 US disclosed
US-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2014-08-21 US disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 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-20140235623-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885HTT 3172/4885KMT2A 4411/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 ALDH1A1 4242/4885HTT 3172/4885KMT2A 4411/4885

“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.