SCHEMBL6230447

SCHEMBL6230447

O=[N+]([O-])c1ccc2c(ccn2CCCCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ KRAS P01116 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ GLS O94925 1/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL29167245 0.89 MAPT (0.51) PLGPLAUKRASPOLBMAPT
SCHEMBL30785020 0.89 MAPT (0.51) PLGPLAUKRASPOLBMAPT
SCHEMBL12475241 0.86 HTR7 (0.52) PLGPLAUKRASPOLBMAPT
SCHEMBL10430002 0.85 PLG (0.46) PLGPLAUKRASCDK4CCND1
SCHEMBL14404541 0.85 PLG (0.44) PLGPLAUKRASCDK4CCND1
SCHEMBL7921048 0.84 KRAS (0.47) PLGPLAUKRASHTR7
SCHEMBL23902730 0.83 GLS (0.46) PLGPLAUKRASCDK4CCND1
SCHEMBL2263041 0.83 GLS (0.46) PLGPLAUKRASCDK4CCND1
SCHEMBL2479169 0.83 HTR7 (0.47) PLGPLAUKRASMAPTHTR7
SCHEMBL7798236 0.83 HTR7 (0.56) PLGPLAUPOLBMAPTATM

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-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE BROUILLETTE WAYNE J (US) 2004-04-01 — — US claimed
JP-2002509149-A — — 2002-03-26 — — JP claimed
EP-1109805-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE The UAB Research Foundation (US) 2001-06-27 — — EP claimed
EP-1047692-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS THE UAB RESEARCH FOUNDATION (US) 2000-11-02 — — EP claimed
WO-2000010996-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE THE UAB RESEARCH FOUNDATION (US) 2000-03-02 — — WO claimed
WO-1999036422-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF, AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME THE UAB RESEARCH FOUNDATION (US) 1999-07-22 — — WO claimed
WO-2005002337-A1 DISINFECTANT COMPOSITIONS AND METHODS VIRTUAL DRUG DEVELOPMENT, INC. (US) 2005-01-13 — — WO disclosed
EP-1047692-B1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS UAB RESEARCH FOUNDATION (US) 2004-07-21 — — EP disclosed
US-6727237-B2 Inhibitors of bacterial NAD synthetase BROUILLETTE WAYNE J (US) 2004-04-27 — — US disclosed
US-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE BROUILLETTE WAYNE J (US) 2004-04-01 — — US disclosed
US-6500852-B1 ENZYME INHIBITORS OF BACTERIAL NICOTINAMIDE ADENINE DINUCLEOTIDE (NAD) ENZYME LYASES USED AS BACTERICIDES, MICROBIOCIDE, ANTISEPTICS OR ANTIBIOTICS UNIVERSITY OF ALABAMA RESEARCH FOUNDATION 2002-12-31 — — US disclosed
EP-1109805-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE The UAB Research Foundation (US) 2001-06-27 — — EP disclosed
EP-1047692-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS THE UAB RESEARCH FOUNDATION (US) 2000-11-02 — — EP disclosed
WO-2000010996-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE THE UAB RESEARCH FOUNDATION (US) 2000-03-02 — — WO disclosed
WO-1999036422-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF, AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME THE UAB RESEARCH FOUNDATION (US) 1999-07-22 — — WO 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 (1 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-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE COASY, NADK, NQO1 PLG 2916/4885PLAU 2063/4885KRAS 2434/4885

“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