SCHEMBL12648616

SCHEMBL12648616

Cn1c(C(=O)NCCn2cc(CCCCCc3c[nH]c(N)n3)nn2)cc(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.39
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ GBA1 P04062 2/20 0.33
▸ EPHX2 P34913 1/20 0.33

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 SCHEMBL1523923 0.99 HDAC1 (0.39) HDAC1HRH4HRH3CNR2CBLB
SCHEMBL12597864 0.88 CBLB (0.38) HDAC1CBLB
Hydrochloric Acid SCHEMBL1518079 0.86 CBLB (0.37) HDAC1CBLB
Dihydrosventrin SCHEMBL12559819 0.86 CBLB (0.38) HDAC1CBLB
SCHEMBL13667538 0.86 HRH4 (0.36) HDAC1HRH4HRH3CNR2GBA1
Dihydrosventrin SCHEMBL1518647 0.85 CBLB (0.38) HDAC1CBLB
SCHEMBL12597863 0.84 CBLB (0.39) HDAC1CBLB
SCHEMBL12648622 0.83 VIP (0.40) HDAC1HRH3CBLB
Hydrochloric Acid SCHEMBL1518082 0.83 CBLB (0.39) HDAC1CBLB
Hydrochloric Acid SCHEMBL1523384 0.83 VIP (0.39) HDAC1HRH3

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 8 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
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 HDAC1 124/4885HRH4 2704/4885HRH3 2075/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 HDAC1 124/4885HRH4 2704/4885HRH3 2075/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 HDAC1 124/4885HRH4 2704/4885HRH3 2075/4885

“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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