SCHEMBL10062327

SCHEMBL10062327

C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cncc(-c3cccnc3)c2)c1)NC(=O)c1cncc(-c2cncc(-c3cccnc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
GRIA1 P42261 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
PTAFR P25105 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41

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
SCHEMBL13044171 0.99 RAB9A (0.43) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL13044201 0.97 RAB9A (0.42) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL13044150 0.90 CTSV (0.42) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL13044177 0.89 RAB9A (0.42) RAB9AKMT2AMEN1TDP1HDAC4
SCHEMBL13044180 0.89 RAB9A (0.44) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10062405 0.89 KMT2A (0.49) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10137206 0.88 KMT2A (0.50) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL13044186 0.85 PTAFR (0.47) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL12530145 0.84 KMT2A (0.48) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10062525 0.82 NAAA (0.49) RAB9AGRIA1EPHX2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658795-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2014-02-25 US disclosed
US-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2012-08-16 US disclosed
US-8178676-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2012-05-15 US disclosed
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2011-07-14 US disclosed
US-7939664-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS INC. (US) 2011-05-10 US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 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 (3 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-20120208286-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO RAB9A 4434/4885GRIA1 1526/4885CTSV 4324/4885
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO RAB9A 4434/4885GRIA1 1526/4885CTSV 4324/4885
US-20110171742-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO RAB9A 4434/4885GRIA1 1526/4885CTSV 4324/4885

“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.