SCHEMBL13655161

SCHEMBL13655161

Nc1ncc(-c2ccccc2NC(=O)C2CCC2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC3 O15379 2/20 0.51
KDM4E B2RXH2 3/20 0.46
PARP14 Q460N5 1/20 0.46
CETP P11597 1/20 0.45
SCN3A Q9NY46 2/20 0.44
SCN9A Q15858 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 2/20 0.43
GSK3B P49841 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLAU P00749 1/20 0.41
POLB P06746 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
SCHEMBL13655262 0.96 HDAC1 (0.56) ALDH1A1HDAC1HDAC2HDAC3KDM4E
SCHEMBL4062098 0.95 PARP14 (0.50) ALDH1A1HDAC1HDAC2HDAC3KDM4E
Hydrochloric Acid SCHEMBL4064801 0.94 PARP14 (0.49) ALDH1A1HDAC1HDAC2HDAC3KDM4E
SCHEMBL20169733 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EPARP14SCN9AABCG2
SCHEMBL13663135 0.78 SCN3A (0.69) KDM4ESCN3ASCN9ASMN1; SMN2NPC1
SCHEMBL13655240 0.76 MAP4K4 (0.57) ALDH1A1SCN3ASCN9ASMN1; SMN2TSHR
SCHEMBL4301688 0.73 HPGD (0.55) ALDH1A1KDM4ESCN3ASCN9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4306148 0.72 SCN3A (0.54) ALDH1A1KDM4ESCN3ASCN9ASMN1; SMN2
SCHEMBL13655206 0.72 SCN3A (0.69) SCN3ASCN9ANPC1RAB9AGSK3B
SCHEMBL38659461 0.70 ALDH1A1 (0.94) ALDH1A1HDAC1HDAC2HDAC3KDM4E

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 9 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-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-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 ALDH1A1 3199/4885HDAC1 212/4885HDAC2 310/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS ALDH1A1 3199/4885HDAC1 212/4885HDAC2 310/4885

“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.