SCHEMBL12648622

SCHEMBL12648622

Nc1nc(CCCCCc2cn(CCNC(=O)c3cc(Br)c[nH]3)nn2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VIP P01282 1/20 0.40
▸ KCNA6 P17658 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ KCNA4 P22459 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ PKM P14618 1/20 0.36
▸ HDAC1 Q13547 5/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ CREBBP Q92793 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ IDO2 Q6ZQW0 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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 SCHEMBL1523384 0.99 VIP (0.39) VIPKCNA6KCNA3KCNA4KCNA5
SCHEMBL12837588 0.89 DYRK1A (0.34) HDAC1HRH3HDAC3HDAC4HDAC7
SCHEMBL12648620 0.85 MIF (0.42) HDAC1IDO1IDO2HDAC3HDAC4
Hydrochloric Acid SCHEMBL1523579 0.84 MIF (0.42) HDAC1IDO1IDO2HDAC3HDAC4
SCHEMBL12648616 0.83 HDAC1 (0.39) HDAC1HRH3CBLB
Hydrochloric Acid SCHEMBL1523923 0.83 HDAC1 (0.39) HDAC1HRH3CBLB
SCHEMBL12764728 0.82 VIP (0.49) VIPKCNA6KCNA3KCNA4KCNA5
Hydrochloric Acid SCHEMBL14956271 0.82 VIP (0.35) VIPKCNA6KCNA3KCNA4KCNA5
SCHEMBL12648628 0.82 HDAC1 (0.36) HDAC1HRH3IDO1IDO2HDAC3
SCHEMBL12648625 0.82 HDAC1 (0.37) HDAC1HRH3HDAC3HDAC4HDAC7

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 VIP 1497/4885KCNA6 3355/4885KCNA3 1562/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 VIP 1497/4885KCNA6 3355/4885KCNA3 1562/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 VIP 1497/4885KCNA6 3355/4885KCNA3 1562/4885

“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.

Send feedback