SCHEMBL16264604

SCHEMBL16264604

NCCCCCCCCCCCCNCc1cc(CNCCCCCCCCCCCCN)cc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
CHRM2 P08172 3/20 0.53
MC4R P32245 2/20 0.50
MC5R P33032 2/20 0.50
MC3R P41968 1/20 0.50
SIGMAR1 Q99720 3/20 0.49
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
Hydrochloric Acid SCHEMBL29778249 0.98 MAOA (0.53) MAOACHRM2MC4RMC5RMC3R
SCHEMBL16264586 0.93 MC4R (0.57) MAOACHRM2MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778289 0.92 MC4R (0.55) MAOACHRM2MC4RMC5RMC3R
SCHEMBL16152214 0.90 MC4R (0.54) MAOACHRM2MC4RMC5RMC3R
SCHEMBL16151767 0.90 MC4R (0.54) MAOACHRM2MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778297 0.89 MC4R (0.53) MAOACHRM2MC4RMC5RMC3R
Hydrochloric Acid SCHEMBL29778286 0.89 MC4R (0.53) MAOACHRM2MC4RMC5RMC3R
SCHEMBL16152227 0.84 CA12 (0.50) MAOACHRM2MC4RMC5RMC3R
SCHEMBL21799882 0.83 MAOA (0.80) MAOACHRM2MC4RMC5RMC3R
SCHEMBL21799465 0.83 MAOA (0.80) MAOACHRM2MC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10440955-B2 Methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2019-10-15 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 2016-11-17 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 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 (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-20160330962-A1 COMPOSITIONS COMPRISING A BIOCIDAL POLYAMINE SRM, SMS, SMOX MAOA 116/4885CHRM2 3917/4885MC4R 4796/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MAOA 116/4885CHRM2 3986/4885MC4R 4823/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOA 110/4885CHRM2 3947/4885MC4R 4831/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOA 110/4885CHRM2 3947/4885MC4R 4831/4885

“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.