SCHEMBL2421409

SCHEMBL2421409

N#Cc1c(Sc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.49
▸ PDE7B Q9NP56 1/20 0.49
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GSTP1 P09211 1/20 0.46
▸ GSTM2 P28161 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ USP47 Q96K76 1/20 0.38

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
SCHEMBL8643964 0.85 PDE7A (0.57) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL8642795 0.85 SMN1; SMN2 (0.48) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL8641570 0.83 TDP1 (0.40) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL8641177 0.82 LMNA (0.43) PDE7AMAPTALDH1A1MEN1KMT2A
SCHEMBL1713219 0.80 PDE7A (0.65) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL30338244 0.80 PDE7A (0.65) PDE7APDE7BMAPTALDH1A1MEN1
SCHEMBL8642759 0.80 CYP19A1 (0.42) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2415981 0.80 TDP1 (0.44) PDE7AMAPTALDH1A1MEN1KMT2A
SCHEMBL618153 0.78 TDP1 (0.54) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9709555 0.78 PDE7A (0.58) PDE7APDE7BMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 — — CN 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
US-5723452-A Therapeutic benzonitriles GLAXO WELLCOME INC. (US) 1998-03-03 — — US disclosed
EP-0748311-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1996-12-18 — — EP disclosed
EP-0746542-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1996-12-11 — — EP disclosed
WO-1995023134-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-31 — — WO disclosed
WO-1995023133-A1 THERAPEUTIC BENZONITRILES THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-31 — — 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 PDE7A 1392/4885PDE7B 4060/4885MAPT 3087/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 PDE7A 1392/4885PDE7B 4060/4885MAPT 3087/4885

“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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