SCHEMBL12648630

SCHEMBL12648630

Nc1nc(CCCCCc2cn(CCNC(=O)c3ccccc3I)nn2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ HDAC1 Q13547 5/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35

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 SCHEMBL1523243 0.99 CNR2 (0.38) CNR2HDAC1NAMPTL3MBTL1DYRK1A
SCHEMBL12648620 0.85 MIF (0.42) HDAC1L3MBTL1DYRK1ADYRK1B
SCHEMBL12595320 0.84 HDAC1 (0.44) HDAC1
Hydrochloric Acid SCHEMBL1523579 0.84 MIF (0.42) HDAC1L3MBTL1DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL1524123 0.83 HDAC1 (0.43) HDAC1
SCHEMBL12648612 0.83 IDO1 (0.46) HDAC1
Hydrochloric Acid SCHEMBL1523567 0.83 IDO1 (0.45) HDAC1
SCHEMBL13667316 0.82 HDAC1 (0.35) CNR2HDAC1DYRK1ADYRK1B
SCHEMBL12648626 0.80 HDAC1 (0.46) HDAC1L3MBTL1
SCHEMBL12648628 0.80 HDAC1 (0.36) CNR2HDAC1DYRK1ADYRK1B

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-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 — — US disclosed
US-8367713-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-02-05 — — US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
WO-2009131654-A2 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 — — WO disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — US 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 (3 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-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 CNR2 4523/4885HDAC1 124/4885NAMPT 2369/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 CNR2 4523/4885HDAC1 124/4885NAMPT 2369/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 CNR2 4523/4885HDAC1 124/4885NAMPT 2369/4885

“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.

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