SCHEMBL16682146

SCHEMBL16682146

Cc1nn(CCCO)c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
SPR P35270 1/20 0.41
GLS O94925 1/20 0.41
NR3C2 P08235 2/20 0.39
HASPIN Q8TF76 1/20 0.39
SLC22A12 Q96S37 5/20 0.38
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
PLK1 P53350 1/20 0.36
PDE5A O76074 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL16682138 0.85 HASPIN (0.50) KMOADORA2AADORA2BSPRGLS
SCHEMBL16682190 0.85 KMO (0.43) KMOADORA2AADORA2BSPRGLS
SCHEMBL16682174 0.83 ADORA2A (0.65) KMOADORA2AADORA2BSPRGLS
SCHEMBL19976788 0.83 SCN5A (0.40) SCN5ASCN9ASLC22A12ESR1PLK1
SCHEMBL16675971 0.82 SCN5A (0.41) SCN5ASCN9ASPRSLC22A12ESR1
SCHEMBL18556910 0.80 PLK1 (0.45) KMOPLK1
SCHEMBL14456349 0.80 KMO (0.44) KMOADORA2AADORA2BSCN5ASCN9A
SCHEMBL17232702 0.80 ADORA2A (0.62) KMOADORA2AADORA2BGLSHASPIN
SCHEMBL13106177 0.74 ADORA2A (0.59) KMOADORA2AADORA2BSPRGLS
SCHEMBL19006032 0.73 ADORA2A (0.51) ADORA2AADORA2BGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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 (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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D KMO 3334/4885ADORA2A 389/4885ADORA2B 367/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C KMO 3195/4885ADORA2A 415/4885ADORA2B 611/4885

“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.