SCHEMBL12282183

SCHEMBL12282183

CCCNc1nc(=O)[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.70
UTS2R Q9UKP6 5/20 0.55
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PDE5A O76074 1/20 0.48
ELANE P08246 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL12282010 0.90 APP (0.65) APPUTS2RALDH1A1KDM4EELANE
SCHEMBL29161478 0.88 APP (0.68) APPUTS2RALDH1A1KDM4EELANE
SCHEMBL13982514 0.85 APP (0.70) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12282007 0.84 APP (0.65) APPUTS2RALDH1A1KDM4EHSD17B10
SCHEMBL12322594 0.81 APP (0.61) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12282694 0.80 APP (0.60) APPUTS2RALDH1A1KDM4EHSD17B10
SCHEMBL12322087 0.79 APP (1.00) APPUTS2RALDH1A1KDM4EPDE5A
SCHEMBL12281524 0.78 APP (0.57) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12282689 0.77 APP (0.59) APPALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12282017 0.77 APP (0.70) APPUTS2RALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 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 (1 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-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 APP 3366/4885UTS2R 340/4885ALDH1A1 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.