SCHEMBL16152240

SCHEMBL16152240

NCCCNCCCNCc1cc(CNCCCNCCCN)cc(-c2cc(CNCCCNCCCN)cc(CNCCCNCCCN)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.50
MC5R P33032 2/20 0.50
MC3R P41968 1/20 0.50
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CASP2 P42575 2/20 0.46
F13A1 P00488 2/20 0.46
CYP1A2 P05177 2/20 0.46
ALOX15 P16050 2/20 0.46
THPO P40225 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL16151766 0.94 MC4R (0.55) MC4RMC5RMC3RCA12CA2
SCHEMBL16435203 0.94 MC4R (0.55) MC4RMC5RMC3RCA12CA2
SCHEMBL16152213 0.91 MC4R (0.51) MC4RMC5RMC3RMAOBCXCR4
SCHEMBL16151767 0.90 MC4R (0.54) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL16152214 0.90 MC4R (0.54) MC4RMC5RMC3RMEN1KMT2A
SCHEMBL16151783 0.89 MC4R (0.58) MC4RMC5RMC3RCA12CA2
SCHEMBL16152229 0.88 MC4R (0.53) MC4RMC5RMC3RCYP1A2CYP2C19
SCHEMBL16264582 0.87 CHRM2 (0.51) MC4RMC5RMC3RCYP1A2CYP2C19
SCHEMBL18223034 0.87 MC4R (0.44) MC4RMC5RMC3RCA12CA2
SCHEMBL16152235 0.87 MC4R (0.44) MC4RMC5RMC3RCYP2C19MAOB

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-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9220267-B2 Methods of use comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-12-29 US disclosed
US-20150274639-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2015-10-01 US disclosed
US-9034927-B2 Methods of use for compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-05-19 US disclosed
US-20150038705-A1 METHODS OF USE COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2015-02-05 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH (US) 2014-11-27 US disclosed
US-8853278-B1 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2014-10-07 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-20140350017-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4854/4885MC5R 4415/4885MC3R 4582/4885
US-20150038705-A1 METHODS OF USE COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4842/4885MC5R 4508/4885MC3R 4645/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4831/4885MC5R 4420/4885MC3R 4585/4885
US-20150274639-A1 METHODS OF USE FOR COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4854/4885MC5R 4415/4885MC3R 4582/4885

“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.