SCHEMBL16429310

SCHEMBL16429310

O=C(O)NCCCNCCCNCc1cc(CNCCCNCCCNC(=O)O)cc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 1/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FDFT1 P37268 2/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL29778284 0.84 MARS1 (0.46) MARS1LTA4HBCHEKDM4EFDFT1
SCHEMBL16247086 0.84 ALDH1A1 (0.46) MARS1BCHEALDH1A1SMN1; SMN2CHRM2
SCHEMBL16246994 0.82 ACKR3 (0.49) MARS1BCHEALDH1A1SMN1; SMN2CHRM2
SCHEMBL16151768 0.82 MC4R (0.54) LTA4HBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL16246990 0.81 ALDH1A1 (0.52) MARS1BCHEKDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL29778308 0.81 MC4R (0.52) LTA4HBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL16435204 0.79 MC4R (0.56) LTA4HBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL16429198 0.77 CNR1 (0.46) MARS1LTA4HKDM4EMAPK1ALDH1A1
SCHEMBL16247146 0.77 CHRNA1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL22771022 0.73 SCN8A (0.54) BCHEKDM4EMAPK1ALDH1A1SMN1; SMN2

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 4 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-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 (2 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 MARS1 908/4885LTA4H 2604/4885BCHE 589/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MARS1 835/4885LTA4H 2411/4885BCHE 475/4885

“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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