SCHEMBL4053946

SCHEMBL4053946

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.58
MKNK1 Q9BUB5 7/20 0.53
MKNK2 Q9HBH9 6/20 0.53
LTA4H P09960 1/20 0.50
SCN9A Q15858 2/20 0.49
RIPK1 Q13546 2/20 0.49
SCN3A Q9NY46 2/20 0.46
NNMT P40261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NQO2 P16083 1/20 0.46
CHEK2 O96017 2/20 0.43
FYN P06241 1/20 0.43
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL4061011 0.98 MASP2 (0.56) MASP2MKNK1MKNK2LTA4HSCN9A
SCHEMBL4063091 0.81 MASP2 (0.56) MASP2SCN9ASCN3ACHEK2FYN
Hydrochloric Acid SCHEMBL4058021 0.80 MASP2 (0.54) MASP2SCN9ASCN3ACHEK2FYN
SCHEMBL28364786 0.79 SCN9A (0.62) MASP2LTA4HSCN9ASCN3A
SCHEMBL18130901 0.78 MASP2 (0.66) MASP2LTA4HSCN9ARIPK1SCN3A
SCHEMBL4053949 0.77 MASP2 (0.70) MASP2LTA4HSCN9ARIPK1SCN3A
SCHEMBL20501048 0.77 SCN9A (0.64) MASP2LTA4HSCN9ASCN3A
SCHEMBL4062253 0.76 MASP2 (0.54) MASP2LTA4HSCN9ASCN3ASMN1; SMN2
SCHEMBL4062250 0.76 MASP2 (0.54) MASP2LTA4HSCN9ASCN3ASMN1; SMN2
Hydrochloric Acid SCHEMBL4061012 0.76 MASP2 (0.68) MASP2LTA4HSCN9ARIPK1SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 US disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 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 (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-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885MKNK1 660/4885MKNK2 676/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885MKNK1 660/4885MKNK2 676/4885

“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.