SCHEMBL4064398

SCHEMBL4064398

COc1ccc(C(C(N)=O)c2ccc(-c3cnc(N)[nH]3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
SCN10A Q9Y5Y9 2/20 0.47
SCN2A Q99250 1/20 0.45
MASP2 O00187 1/20 0.43
ALOX5 P09917 1/20 0.41
CDC7 O00311 1/20 0.41
SCN9A Q15858 2/20 0.40
DGAT1 O75907 1/20 0.40
CHEK2 O96017 2/20 0.39
DYRK1A Q13627 1/20 0.39
PARP1 P09874 1/20 0.39
PLA2G2A P14555 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP4K4 O95819 1/20 0.39

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 SCHEMBL4298486 0.99 LTA4H (0.47) LTA4HSCN10ASCN2AMASP2ALOX5
SCHEMBL8196299 0.84 LTA4H (0.64) LTA4HSCN10ASCN2AMASP2DYRK1A
SCHEMBL4507705 0.78 CA1 (0.55) ALOX5PARP1
SCHEMBL4064403 0.73 SMN1; SMN2 (0.57) SCN9AKDM4EALDH1A1SMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL4298488 0.72 SMN1; SMN2 (0.56) SCN9AKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL4493891 0.72 ACP3 (0.57) PARP1ALDH1A1
SCHEMBL4053946 0.70 MASP2 (0.58) LTA4HMASP2SCN9ACHEK2SMN1; SMN2
Hydrochloric Acid SCHEMBL4061011 0.69 MASP2 (0.56) LTA4HMASP2SCN9ACHEK2SMN1; SMN2
SCHEMBL25834553 0.68 SCN10A (0.57) SCN10ASCN2ASCN9ADYRK1A
SCHEMBL15136021 0.68 RXFP1 (0.55) SCN10ASCN2ADGAT1CHEK2ALOX15

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 LTA4H 2694/4885SCN10A 2901/4885SCN2A 3744/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS LTA4H 2694/4885SCN10A 2901/4885SCN2A 3744/4885

“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.