SCHEMBL13044201

SCHEMBL13044201

C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1)NC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)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
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
AKT3 Q9Y243 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40

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 0.98 RAB9A (0.43) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL10062327 0.97 RAB9A (0.42) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL13044150 0.89 CTSV (0.42) RAB9AGRIA1CTSVCTSLCTSB
SCHEMBL13044177 0.89 RAB9A (0.42) RAB9AHDAC4HDAC1KMT2AMEN1
SCHEMBL13044180 0.89 RAB9A (0.44) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10137206 0.87 KMT2A (0.50) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10062405 0.86 KMT2A (0.49) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL12530145 0.83 KMT2A (0.48) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL13044186 0.82 PTAFR (0.47) RAB9APTAFRKMT2AMEN1TDP1
SCHEMBL10062525 0.81 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222686-B1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS MEDTRONIC MINIMED INC (US) 2015-06-17 EP disclosed
US-7829341-B2 Polyviologen boronic acid quenchers for use in analyte sensors GLUMETRICS, INC. (US) 2010-11-09 US disclosed
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
US-20090081803-A1 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2009-03-26 US disclosed
WO-2009009756-A2 POLYVIOLOGEN BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS, INC. (US) 2009-01-15 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 (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 RAB9A 4752/4885GRIA1 1567/4885ROCK2 2647/4885

“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.