SCHEMBL4053949

SCHEMBL4053949

Nc1ccc(-c2cnc(N)[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.70
LTA4H P09960 1/20 0.59
ASIC3 Q9UHC3 1/20 0.48
SCN9A Q15858 2/20 0.46
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 1/20 0.43
SCN3A Q9NY46 2/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 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
Hydrochloric Acid SCHEMBL4061012 0.98 MASP2 (0.68) MASP2LTA4HASIC3SCN9AALDH1A1
SCHEMBL10979 0.85 MASP2 (0.68) MASP2LTA4HSCN9AALDH1A1MEN1
SCHEMBL20169742 0.83 MASP2 (0.66) MASP2LTA4HSCN9ANPC1RAB9A
SCHEMBL8221175 0.83 MASP2 (0.66) MASP2LTA4HSCN9AALDH1A1MAPT
SCHEMBL18130901 0.83 MASP2 (0.66) MASP2LTA4HSCN9ANPC1RAB9A
SCHEMBL13655229 0.83 MASP2 (0.92) MASP2LTA4HSCN9ASCN2ANPY5R
SCHEMBL19471383 0.83 LTA4H (0.81) MASP2LTA4HSCN9ANPC1RAB9A
SCHEMBL725351 0.83 MASP2 (1.00) MASP2LTA4HSCN9ARAB9ASCN2A
SCHEMBL6026939 0.81 NPY5R (0.64) MASP2ASIC3SCN2ANPY5RTRPV1
SCHEMBL2768364 0.81 MASP2 (0.68) MASP2LTA4HSCN9AMAPTSCN3A

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
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
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 774/4885LTA4H 2694/4885ASIC3 1248/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885LTA4H 2694/4885ASIC3 1248/4885

“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.