SCHEMBL14656404

SCHEMBL14656404

O=[N+]([O-])c1ccc(-c2cnc(NC3CCCC3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
LMNA P02545 5/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
RIPK1 Q13546 1/20 0.51
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 2/20 0.44
HCRTR1 O43613 1/20 0.44
ALOX5 P09917 1/20 0.43
HTT P42858 4/20 0.43
BLM P54132 1/20 0.43
CTSL P07711 1/20 0.41
CTSS P25774 1/20 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
SCHEMBL14656795 0.81 TRIM24 (0.41) MAPTRIPK1MAPK1
SCHEMBL14656521 0.81 RIPK1 (0.47) MAPTGAAPOLBRIPK1ALDH1A1
SCHEMBL2153779 0.80 CDC7 (0.50) MAPTLMNASCN2A
SCHEMBL20336245 0.80 RIPK1 (0.49) MAPTGAAPOLBRIPK1ALDH1A1
SCHEMBL2162183 0.79 MAPT (0.49) MAPTLMNAGAAPOLBALDH1A1
SCHEMBL2161772 0.76 SCN2A (0.47) MAPTLMNAPOLBALDH1A1MEN1
SCHEMBL2161901 0.76 ALDH1A1 (0.41) LMNAPOLBRIPK1ALDH1A1SMN1; SMN2
SCHEMBL9761766 0.76 RIPK1 (0.50) MAPTLMNAGAAPOLBRIPK1
SCHEMBL2163250 0.76 MAPT (0.50) MAPTLMNAGAAPOLBRIPK1
SCHEMBL31614570 0.75 MAPT (0.48) MAPTLMNAGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513064-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2018-07-04 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed

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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC MAPT 2222/4885LMNA 4394/4885GAA 1825/4885

“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.