SCHEMBL12201301

SCHEMBL12201301

OB(O)c1ccccc1C[n+]1c2ccccc2cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.47
LIPG Q9Y5X9 1/20 0.41
BCHE P06276 4/20 0.39
ACHE P22303 3/20 0.39
KDM4E B2RXH2 2/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ENPP2 Q13822 1/20 0.32
RGS12 O14924 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL12201294 0.88 LIPG (0.47) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL12201290 0.80 LIPG (0.41) MEN1KMT2ARAB9ANPC1LIPG
SCHEMBL19422741 0.79 ACHE (0.67) MEN1KMT2ARAB9ANPC1BCHE
SCHEMBL13311556 0.75 KDM4E (0.51) MEN1KMT2ARAB9ANPC1LIPG
Bromide SCHEMBL2332371 0.74 KDM4E (0.53) MEN1KMT2ABCHEACHEKDM4E
Bromide SCHEMBL2341067 0.73 ACHE (0.50) KMT2ABCHEACHEKDM4ESMN1; SMN2
SCHEMBL39286 0.73 LIPE (0.38) LIPGBCHEACHEENPP2
SCHEMBL14601222 0.73 LIPG (0.36) LIPGENPP2
Hydrochloric Acid SCHEMBL11694762 0.72 KDM4E (0.49) ATMMEN1KMT2ARAB9ANPC1
SCHEMBL13310844 0.72 ACHE (0.64) MEN1KMT2ARAB9ANPC1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338602-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-12-25 US disclosed
US-8034633-B2 Microwave accelerated assays UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2011-10-11 US disclosed
US-7939333-B2 Metal enhanced fluorescence-based sensing methods UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2011-05-10 US disclosed
US-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2010-11-25 US disclosed
US-7732215-B2 Cyanide sensing compounds and uses thereof UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-06-08 US disclosed
US-7718804-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-05-18 US disclosed
US-20100028983-A1 MICROWAVE ACCELERATED ASSAYS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-02-04 US disclosed
US-20090142847-A1 METAL ENHANCED FLUORESCENCE-BASED SENSING METHODS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2009-06-04 US disclosed
US-20080096281-A1 Cyanide Sensing Compounds and Uses Thereof GEDDES, CHRIS, DR. 2008-04-24 US disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 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-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 ATM 3489/4885MEN1 561/4885KMT2A 4551/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 ATM 2730/4885MEN1 277/4885KMT2A 4298/4885

“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.