SCHEMBL4243288

SCHEMBL4243288

CC(C)(C)OC(=O)n1c(-c2cccc(C(=O)OCc3ccccc3)c2N)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 2/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAOB P27338 2/20 0.38
ADORA2A P29274 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL4237117 0.77 SMARCA2 (0.40) CYP3A4NR1H2GPR119
SCHEMBL13663125 0.75 CYP1A2 (0.49) ALDH1A1TDP1CYP3A4NR1H2
SCHEMBL23812437 0.71 ALDH1A1 (0.69) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL26189857 0.70 ALDH1A1 (0.68) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL7970319 0.70 ALDH1A1 (0.44) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL376115 0.69 HTT (0.55) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL7428952 0.69 ALDH1A1 (0.43) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL27620936 0.69 ACHE (0.53) POLBMAPTMEN1KMT2AGPR119
SCHEMBL4066145 0.69 HDAC1 (0.41) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL4066085 0.69 FYN (0.43) NR1H2

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 L3MBTL1 1622/4885TSHR 3675/4885CASP3 1551/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS L3MBTL1 1622/4885TSHR 3675/4885CASP3 1551/4885

“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.