SCHEMBL16429285

SCHEMBL16429285

NCCCCCCCCCCCC(N)Cc1cc(CC(N)CCCCCCCCCCCN)cc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.44
▸ EPHX1 P07099 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ MMP9 P14780 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ANPEP P15144 1/20 0.36

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
SCHEMBL16428756 0.87 EPHX1 (0.45) MMP2EPHX1GRIN2DGRIN3BGRIN1
SCHEMBL18223051 0.85 MMP2 (0.40) MMP2SIGMAR1
SCHEMBL8639910 0.83 EPHX1 (0.59) MMP2EPHX1MAOASIGMAR1CSNK1E
SCHEMBL16429484 0.83 EPHX1 (0.59) MMP2EPHX1MAOASIGMAR1CSNK1E
SCHEMBL16429100 0.83 EPHX1 (0.59) MMP2EPHX1MAOASIGMAR1CSNK1E
SCHEMBL8629574 0.83 EPHX1 (0.59) MMP2EPHX1MAOASIGMAR1CSNK1E
SCHEMBL16428940 0.82 MMP2 (0.40) MMP2MC4RMC5RMC3RGRIN1
SCHEMBL16247188 0.82 MMP2 (0.46) MMP2EPHX1MAOASIGMAR1CSNK1E
SCHEMBL16429325 0.82 MMP2 (0.46) MMP2EPHX1MAOASIGMAR1CSNK1E
Hydrochloric Acid SCHEMBL28199429 0.82 EPHX1 (0.57) MMP2EPHX1MAOASIGMAR1CSNK1E

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 6 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-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-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

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 MMP2 235/4885EPHX1 2233/4885MC4R 4796/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MMP2 119/4885EPHX1 1994/4885MC4R 4823/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MMP2 197/4885EPHX1 2010/4885MC4R 4831/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MMP2 197/4885EPHX1 2010/4885MC4R 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.

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