SCHEMBL13655262

SCHEMBL13655262

Nc1ncc(-c2ccccc2NC(=O)C2CCCCC2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC3 O15379 3/20 0.56
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.50
CETP P11597 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.45
PARP14 Q460N5 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL13655161 0.96 ALDH1A1 (0.56) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL4062098 0.94 PARP14 (0.50) HDAC1HDAC2HDAC3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4064801 0.93 PARP14 (0.49) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL20169733 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EABCG2SMN1; SMN2HPGD
SCHEMBL4301688 0.77 HPGD (0.55) ALDH1A1KDM4ESMN1; SMN2TSHRHPGD
Hydrochloric Acid SCHEMBL4306148 0.76 SCN3A (0.54) ALDH1A1KDM4ESMN1; SMN2TSHRHPGD
SCHEMBL13663135 0.74 SCN3A (0.69) KDM4ESMN1; SMN2HPGDNPC1RAB9A
SCHEMBL28256535 0.74 CETP (0.77) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL12323604 0.74 CETP (0.77) HDAC1HDAC2HDAC3ALDH1A1KDM4E
SCHEMBL28258088 0.74 CETP (0.77) HDAC1HDAC2HDAC3ALDH1A1KDM4E

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 HDAC1 212/4885HDAC2 310/4885HDAC3 314/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS HDAC1 212/4885HDAC2 310/4885HDAC3 314/4885

“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.