SCHEMBL4064880

SCHEMBL4064880

Nc1ncc(-c2ccccc2N)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.60
IDO1 P14902 4/20 0.52
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
AOC3 Q16853 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 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 SCHEMBL4302262 0.98 MASP2 (0.58) MASP2IDO1ALDH1A1L3MBTL1DRD2
SCHEMBL13665045 0.81 MASP2 (0.72) MASP2ALDH1A1DRD2HTR2AHTR6
SCHEMBL24427569 0.81 IDO1 (0.49) MASP2IDO1ALDH1A1L3MBTL1ADORA3
SCHEMBL20169735 0.81 MASP2 (0.56) MASP2IDO1ALDH1A1DRD2HTR2A
SCHEMBL4064876 0.75 MASP2 (0.50) MASP2ALDH1A1DRD2HTR2AHTR6
SCHEMBL725351 0.75 MASP2 (1.00) MASP2AOC3RAB9ALTA4H
Hydrochloric Acid SCHEMBL4302259 0.74 MASP2 (0.49) MASP2ALDH1A1DRD2HTR2AHTR6
SCHEMBL14291616 0.74 MASP2 (0.49) MASP2ALDH1A1L3MBTL1DRD2HTR2A
SCHEMBL4244861 0.73 MASP2 (0.51) MASP2DRD2HTR2AHTR6HTR1A
SCHEMBL4300270 0.73 MASP2 (0.51) MASP2ALDH1A1DRD2HTR2AHTR6

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-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
EP-0896578-B1 NOVEL IMIDAZO[1,5-c]QUINAZOLINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2008-02-27 EP 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 774/4885IDO1 74/4885ALDH1A1 3199/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885IDO1 74/4885ALDH1A1 3199/4885

“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.