SCHEMBL13044149

SCHEMBL13044149

C=C(C)C(=O)NCCCNC(=O)C(N)CN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.47
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
RRM1 P23921 1/20 0.44
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 1/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NOS1 P29475 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
SCHEMBL13205415 0.87 DPP7 (0.51) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL10062328 0.86 GNAI3 (0.64) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14116004 0.85 DPP7 (0.46) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL16803297 0.83 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL18133012 0.81 DPP7 (0.46) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL632876 0.80 KDM4E (0.46)
SCHEMBL26224675 0.80 DPP7 (0.69) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL14845859 0.80 DPP7 (0.55) DPP7GNAI3GNAO1GNAI1RRM1
SCHEMBL16309325 0.78 KDM4E (0.44)
SCHEMBL13044202 0.77 GNAI3 (0.56) DPP7GNAI3GNAO1GNAI1RRM1

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-7829341-B2 Polyviologen boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2010-11-09 US disclosed
US-20090081803-A1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2009-03-26 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-20090081803-A1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS SLC2A4, SLC2A2, SLC2A1 DPP7 614/4885GNAI3 625/4885GNAO1 1177/4885

“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.