SCHEMBL4244094

SCHEMBL4244094

COc1ccc(C#Cc2ccccc2-c2cnc(N)[nH]2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 1/20 0.45
MASP2 O00187 1/20 0.38
ACACB O00763 2/20 0.35
FGFR3 P22607 2/20 0.35
LTA4H P09960 1/20 0.34
SCN2A Q99250 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DHFR P00374 1/20 0.33
PDE2A O00408 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR2 P21802 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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 SCHEMBL4243290 0.99 HTR6 (0.47) DRD2HTR6HTR2AHTR7MASP2
SCHEMBL13664538 0.82 DRD2 (0.49) DRD2HTR6HTR2AHTR7MASP2
SCHEMBL4300270 0.74 MASP2 (0.51) DRD2HTR6HTR2AHTR7MASP2
Hydrochloric Acid SCHEMBL4301835 0.73 MASP2 (0.50) DRD2HTR6HTR2AHTR7MASP2
SCHEMBL13663127 0.70 MASP2 (0.40) DRD2HTR6HTR2AMASP2LTA4H
SCHEMBL28063931 0.70 HSD17B10 (0.54) DRD2HTR6HTR2AHTR7MASP2
SCHEMBL16324218 0.67 NPY5R (0.60) MASP2LTA4HSCN2AKDM4EKMT2A
SCHEMBL12287731 0.67 ACACB (0.43) ACACBDHFRKDM4EMEN1KMT2A
SCHEMBL22444966 0.67 PIN1 (0.56) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL13663128 0.67 MASP2 (0.49) MASP2LTA4HSCN2AMEN1KMT2A

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 12 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-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-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 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-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 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
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 DRD2 1539/4885HTR6 2991/4885HTR2A 3555/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS DRD2 1539/4885HTR6 2991/4885HTR2A 3555/4885

“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.