SCHEMBL12597863

SCHEMBL12597863

Cn1c(C(=O)NCCc2c[nH]c(N)n2)cc(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32

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 SCHEMBL1518082 0.99 CBLB (0.39) CBLBMAPTNPC1ALOX15RAB9A
Dihydrosventrin SCHEMBL12559819 0.93 CBLB (0.38) CBLBMAPTNPC1ALOX15RAB9A
Dihydrosventrin SCHEMBL1518647 0.92 CBLB (0.38) CBLBMAPTNPC1ALOX15RAB9A
SCHEMBL12597864 0.92 CBLB (0.38) CBLBMAPTNPC1ALOX15RAB9A
Hydrochloric Acid SCHEMBL1518079 0.91 CBLB (0.37) CBLBMAPTNPC1ALOX15RAB9A
SCHEMBL12648616 0.84 HDAC1 (0.39) CBLBHDAC1
Hydrochloric Acid SCHEMBL1523923 0.84 HDAC1 (0.39) CBLBHDAC1
SCHEMBL13667359 0.81 HDAC1 (0.34) CBLBMAPTNPC1ALOX15RAB9A
SCHEMBL12597895 0.81 MAPT (0.36) CBLBMAPTNPC1ALOX15RAB9A
SCHEMBL13803814 0.81 MAPT (0.34) MAPTNPC1ALOX15RAB9ATDP1

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 15 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-8927029-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-01-06 — — US disclosed
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-05-08 — — US disclosed
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-03-20 — — US disclosed
US-8653124-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN (US) 2012-12-27 — — US disclosed
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — US disclosed
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 — — 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-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 — — US disclosed
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 — — 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 (6 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 CBLB 2344/4885MAPT 3627/4885NPC1 4428/4885
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT CBLB 440/4885MAPT 697/4885NPC1 2667/4885
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT CBLB 440/4885MAPT 697/4885NPC1 2667/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB CBLB 2344/4885MAPT 3627/4885NPC1 4428/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB CBLB 2344/4885MAPT 3627/4885NPC1 4428/4885
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT CBLB 440/4885MAPT 697/4885NPC1 2667/4885

“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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