SCHEMBL90573

SCHEMBL90573

CN1CCC(C(C)(C)N)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12927452 0.85 ALDH1A1 (0.44) NCF1ALDH1A1TDP1
SCHEMBL7589847 0.80 NCF1 (0.37) NCF1ATML3MBTL1
SCHEMBL14093037 0.80 NCF1 (0.37) NCF1ATML3MBTL1
SCHEMBL11989609 0.80 NCF1 (0.37) NCF1ATML3MBTL1
SCHEMBL12927447 0.79
SCHEMBL24608310 0.77 NCF1 (0.33) NCF1
SCHEMBL13713126 0.76 ATM (0.41) NCF1ALDH1A1ATML3MBTL1
SCHEMBL731727 0.74 ALDH1A1 (0.35) ALDH1A1TDP1ATM
SCHEMBL733216 0.74 ALDH1A1 (0.35) ALDH1A1TDP1ATM
SCHEMBL9939993 0.73 NCF1 (0.36) NCF1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158708-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-06-08 US disclosed
WO-2017046603-A1 ANTIBACTERIAL COMPOUNDS AND NEW USES THEREOF REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2017046606-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2016067009-A1 COMPOUNDS WITH ACTIVITY AGAINST BACTERIA AND MYCOBACTERIA REDX PHARMA PLC (GB) 2016-05-06 WO disclosed
WO-2015155549-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2015-10-15 WO disclosed
WO-2015114317-A1 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OR 5H-PYRAZOLO[4,3-C]PYRIDIN-3,4-DIONE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2015-08-06 WO disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129533-B2 Method for production of quinolone-containing lyophilized preparation DALICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest EMORY UNIVERSITY (US) 2009-12-10 US disclosed
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest EMORY UNIVERSITY (US) 2009-12-10 US disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 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 (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-20170158708-A1 ANTIBACTERIAL COMPOUNDS ABCC1, SLC11A2, NQO2 NCF1 379/4885ALDH1A1 1408/4885TDP1 4346/4885
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 NCF1 1645/4885ALDH1A1 3893/4885TDP1 2721/4885
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest SNRPE, NSUN2, SNRPA NCF1 553/4885ALDH1A1 3615/4885TDP1 164/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 NCF1 849/4885ALDH1A1 1079/4885TDP1 2316/4885

“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.