SCHEMBL2415689

SCHEMBL2415689

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S100A4 P26447 1/20 0.39
CUL4A Q13619 1/20 0.39
VCAM1 P19320 3/20 0.39
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL618153 0.86 TDP1 (0.54) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL30694393 0.79 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL220318 0.79 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2950121 0.78 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL21957846 0.78 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL621936 0.78 GPR35 (0.56) TDP1GPR35ALDH1A1HPGDHSD17B10
SCHEMBL700631 0.78 TSHR (0.58) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL16959740 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2413571 0.78 SMN1; SMN2 (0.46) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL1850626 0.78 ALDH1A1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR

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 15 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
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 CN 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

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 TDP1 4142/4885GPR35 204/4885ALDH1A1 4242/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 TDP1 4142/4885GPR35 204/4885ALDH1A1 4242/4885

“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.