SCHEMBL4064876

SCHEMBL4064876

NC(=O)c1ccccc1-c1cnc(N)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.50
CSNK1A1 P48729 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
BCAT2 O15382 1/20 0.47
NUDT1 P36639 1/20 0.43
BRD4 O60885 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR6 P50406 2/20 0.41
CDC7 O00311 2/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
JAK2 O60674 2/20 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 SCHEMBL4302259 0.98 MASP2 (0.49) MASP2CSNK1A1TYRO3DYRK1BBCAT2
SCHEMBL4064880 0.75 MASP2 (0.60) MASP2BRD4DRD2HTR2AHTR6
SCHEMBL4056957 0.75 BRS3 (0.42)
Hydrochloric Acid SCHEMBL4302262 0.74 MASP2 (0.58) MASP2BRD4DRD2HTR2AHTR6
SCHEMBL27323238 0.73 IDO1 (0.59) CSNK1A1TYRO3DYRK1BBCAT2NUDT1
SCHEMBL20169733 0.73 ALDH1A1 (0.48) MASP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13665045 0.73 MASP2 (0.72) MASP2CSNK1A1DYRK1BDRD2HTR2A
SCHEMBL20169735 0.73 MASP2 (0.56) MASP2DRD2HTR2AHTR6HTR1A
SCHEMBL2552512 0.72 BCAT2 (0.49) CSNK1A1TYRO3DYRK1BBCAT2NUDT1
SCHEMBL210767 0.72 BCAT2 (0.74) CSNK1A1TYRO3DYRK1BBCAT2NUDT1

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 774/4885CSNK1A1 4817/4885TYRO3 535/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885CSNK1A1 4817/4885TYRO3 535/4885

“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.