SCHEMBL2587501

SCHEMBL2587501

FC(F)(F)c1ccc2c(N3CCCNCC3)ccnc2c1

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.90
ADRB2 P07550 4/20 0.90
ADRB1 P08588 1/20 0.53
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CHKA P35790 1/20 0.49
PDGFRB P09619 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DPP4 P27487 1/20 0.45
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL900260 0.95 NCF1 (1.00) NCF1ADRB2ADRB1PKMALOX15
SCHEMBL2918624 0.85 NCF1 (0.81) NCF1ADRB2ADRB1MAPTHTR6
SCHEMBL2594228 0.81 NCF1 (0.90) NCF1ADRB2PKMALOX15CASP1
SCHEMBL6125225 0.80 ADRB2 (0.72) NCF1ADRB2PKMALOX15CASP1
SCHEMBL23412205 0.78 NCF1 (0.88) NCF1ADRB2ADRB1PKMALOX15
SCHEMBL30059007 0.78 NCF1 (0.70) NCF1ADRB2PKMALOX15CASP1
SCHEMBL5638528 0.78 NCF1 (0.70) NCF1ADRB2PKMALOX15CASP1
SCHEMBL13153253 0.78 ADRB2 (0.69) NCF1ADRB2PKMALOX15CASP1
SCHEMBL25656138 0.77 NCF1 (0.62) NCF1ADRB2ADRB1PKMALOX15
SCHEMBL18386565 0.77 ADRB2 (0.67) NCF1ADRB2PKMALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085557-B2 Quinolylpiperazino substituted thiolactone compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-21 US claimed
EP-2566863-B1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-14 EP claimed
US-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-07-25 US claimed
EP-2566863-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2013-03-13 EP claimed
US-9085557-B2 Quinolylpiperazino substituted thiolactone compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-21 US disclosed
EP-2566863-B1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-14 EP disclosed
US-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-07-25 US disclosed
EP-2566863-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2013-03-13 EP disclosed
WO-2011138666-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-11-10 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-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF SQOR, TST, FDPS NCF1 3136/4885ADRB2 2221/4885ADRB1 1492/4885

“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.