SCHEMBL14670971

SCHEMBL14670971

O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
MMP8 P22894 3/20 0.57
MMP13 P45452 3/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
PTGS2 P35354 3/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GSK3B P49841 1/20 0.49
USP1 O94782 1/20 0.47
USP19 O94966 1/20 0.47

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
SCHEMBL10788689 0.94 KMT2A (0.62) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL9149329 0.87 KMT2A (0.56) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL11752008 0.85 KMT2A (0.72) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL11749411 0.85 KMT2A (0.72) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL4258701 0.84 KMT2A (0.63) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL5698593 0.84 KMT2A (1.00) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL15428326 0.84 MMP2 (0.56) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL11752848 0.84 KMT2A (0.71) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL11753888 0.84 KMT2A (0.71) KMT2AMMP2MMP9MMP8MMP13
SCHEMBL29421027 0.83 KMT2A (0.55) KMT2AMMP2MMP9MMP8MMP13

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-2734519-B1 ANTI-BIOFILM COMPOUNDS UNIV LOUISVILLE RES FOUND (US) 2016-05-04 EP disclosed
US-9167820-B2 Anti-biofilm compounds UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-27 US disclosed
US-9167820-B2 Anti-biofilm compounds UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-27 US disclosed
US-20140161845-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2014-06-12 US disclosed
US-20140161845-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC. (US) 2014-06-12 US disclosed
WO-2013016206-A1 ANTI-BIOFILM COMPOUNDS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-31 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-20140161845-A1 ANTI-BIOFILM COMPOUNDS MSR1, NPR1, FPR1 KMT2A 3907/4885MMP2 928/4885MMP9 1030/4885

“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.