SCHEMBL1436043

SCHEMBL1436043

O=C(CBr)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ACHE P22303 1/20 0.56
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 5/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30984472 1.00 ALDH1A1 (0.56) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL10425510 0.95 HDAC8 (0.61) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL11661610 0.94 HDAC8 (0.64) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL11464787 0.94 HDAC8 (0.64) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL133129 0.90 ALDH1A1 (0.54) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL29452030 0.90 ALDH1A1 (0.54) ALDH1A1HDAC8HDAC3HDAC4HDAC1
SCHEMBL11754615 0.90 ALDH1A1 (0.62) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL11208262 0.83 ALDH1A1 (0.56) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL29986677 0.83 ALDH1A1 (0.56) ALDH1A1ACHEHDAC8HDAC3HDAC4
SCHEMBL10672732 0.83 ALDH1A1 (0.56) ALDH1A1ACHEHDAC8HDAC3HDAC4

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605297-B2 Method of generating linkage-specific di-and polyprotein probes UNIVERSITY OF DELAWARE (US) 2017-03-28 US disclosed
US-9605297-B2 Method of generating linkage-specific di-and polyprotein probes UNIVERSITY OF DELAWARE (US) 2017-03-28 US disclosed
US-20160237471-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES Universtiy of Delaware (US) 2016-08-18 US disclosed
US-20160237471-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES Universtiy of Delaware (US) 2016-08-18 US disclosed
US-9084423-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-07-21 US disclosed
WO-2015057803-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES ZHUANG ZHIHAO (US) 2015-04-23 WO 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
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
US-5190589-A Compounds and process preparing a substituted or an unsubstituted 4(5)-(ω-aminoalkyl)imidazole CEDONA PHARMACEUTICALS B.V. (NL) 1993-03-02 US disclosed
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0415948-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-($g(v)-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1991-03-13 EP disclosed
WO-1989010360-A1 PROCESS FOR PREPARING A SUBSTITUTED OR AN UNSUBSTITUTED 4(5)-(omega-AMINOALKYL)IMIDAZOLE CEDONA PHARMACEUTICALS B.V. (NL) 1989-11-02 WO disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP 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 (4 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-20160237471-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES USP28, USP36, STUB1 ALDH1A1 2154/4885ACHE 3293/4885HDAC8 710/4885
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT ALDH1A1 2079/4885ACHE 92/4885HDAC8 244/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB ALDH1A1 3424/4885ACHE 874/4885HDAC8 377/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 ALDH1A1 133/4885ACHE 847/4885HDAC8 2719/4885

“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.