SCHEMBL12598178

SCHEMBL12598178

Cn1c(C(=O)NC/C=C/c2c[nH]c(N)n2)cc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA6 P17658 9/20 0.41
▸ KCNA3 P22001 9/20 0.41
▸ KCNA4 P22459 9/20 0.41
▸ KCNA5 P22460 3/20 0.41
▸ NT5E P21589 2/20 0.39
▸ KCNA2 P16389 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ CBLB Q13191 2/20 0.37

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
SCHEMBL12598175 0.78 KCNA6 (0.42) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL12597863 0.78 CBLB (0.39) CBLB
Oroidin SCHEMBL14536687 0.77 KCNA6 (0.65) KCNA6KCNA3KCNA4KCNA5NT5E
Hydrochloric Acid SCHEMBL1518082 0.77 CBLB (0.39) CBLB
Oroidin SCHEMBL28891358 0.77 KCNA6 (0.65) KCNA6KCNA3KCNA4KCNA5NT5E
Oroidin SCHEMBL12597862 0.77 KCNA6 (0.65) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL13036735 0.77 KCNA6 (0.67) KCNA6KCNA3KCNA4KCNA5NT5E
Dihydrosventrin SCHEMBL12559819 0.76 CBLB (0.38) CBLB
SCHEMBL12597864 0.75 CBLB (0.38) CBLB
Dihydrosventrin SCHEMBL1518647 0.75 CBLB (0.38) CBLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084423-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-07-21 — — US disclosed
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-05-08 — — US disclosed
US-8653124-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-06-23 — — US disclosed
US-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 — — US disclosed
US-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2008-07-31 — — 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-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB KCNA6 2338/4885KCNA3 2208/4885KCNA4 3513/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB KCNA6 2338/4885KCNA3 2208/4885KCNA4 3513/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB KCNA6 2338/4885KCNA3 2208/4885KCNA4 3513/4885

“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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