SCHEMBL12764728

SCHEMBL12764728

Nc1nc(CCCNC(=O)c2cc(Br)c[nH]2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VIP P01282 2/20 0.49
▸ KCNA6 P17658 1/20 0.48
▸ KCNA3 P22001 1/20 0.48
▸ KCNA4 P22459 1/20 0.48
▸ KCNA5 P22460 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ CREBBP Q92793 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ SCN3A Q9NY46 2/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ SCN5A Q14524 1/20 0.40
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ IDO1 P14902 2/20 0.36

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 SCHEMBL1518416 0.99 VIP (0.48) VIPKCNA6KCNA3KCNA4KCNA5
SCHEMBL12597850 0.83 MAP2K1 (0.47) KCNA6KCNA3KCNA4KCNA5DAO
SCHEMBL12648622 0.82 VIP (0.40) VIPKCNA6KCNA3KCNA4KCNA5
Hydrochloric Acid SCHEMBL1518077 0.82 MAP2K1 (0.47) KCNA6KCNA3KCNA4KCNA5DAO
Hydrochloric Acid SCHEMBL1523384 0.82 VIP (0.39) VIPKCNA6KCNA3KCNA4KCNA5
SCHEMBL14114459 0.81 KCNA6 (0.36) VIPKCNA6KCNA3KCNA4KCNA5
Hydrochloric Acid SCHEMBL1518215 0.79 HDAC3 (0.49) SCN9ASCN3ASCN5A
Hydrochloric Acid SCHEMBL1518116 0.77 KCNA6 (0.46) KCNA6KCNA3KCNA4KCNA5DAO
Hydrochloric Acid SCHEMBL1518217 0.77 CBLB (0.39) PKMALDH1A1
Dihydrosventrin SCHEMBL12559819 0.75 CBLB (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422404-B2 2-aminoimidazole-functional silicone compositions and methods of making the same DOW CORNING CORPORATION (US) 2016-08-23 — — US disclosed
US-20160024257-A1 2-Aminoimidazole-Functional Silicone Compositions And Methods Of Making The Same DOW SILICONES CORPORATION 2016-01-28 — — US disclosed
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-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 — — US disclosed
US-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 — — US disclosed
WO-2008094479-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-07 — — WO disclosed
US-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2008-07-31 — — 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 (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-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB VIP 731/4885KCNA6 2338/4885KCNA3 2208/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB VIP 731/4885KCNA6 2338/4885KCNA3 2208/4885

“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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