SCHEMBL16429307

SCHEMBL16429307

NCCCNC(CCN)Cc1cc(CC(CCN)NCCCN)cc(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ EPOR P19235 3/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ BCHE P06276 3/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16429081 0.87 MEN1 (0.44) RRM1SIGMAR1EPORBCHERAB9A
SCHEMBL16429182 0.85 SIGMAR1 (0.40) SIGMAR1EPORLTA4H
SCHEMBL2403061 0.81 SIGMAR1 (0.44) SIGMAR1MEN1KMT2A
SCHEMBL18223038 0.81 SIGMAR1 (0.38) SIGMAR1MEN1KMT2A
SCHEMBL16428941 0.80 SIGMAR1 (0.43) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL16247089 0.80 SIGMAR1 (0.43) SIGMAR1MEN1KMT2A
SCHEMBL16429186 0.80 SLC2A1 (0.39) SIGMAR1
Hydrochloric Acid SCHEMBL16247175 0.79 SIGMAR1 (0.42) SIGMAR1MEN1KMT2A
SCHEMBL16429306 0.79 BCHE (0.44) EPORLTA4HBCHERAB9ASMN1; SMN2
SCHEMBL16429164 0.78 SIGMAR1 (0.33) SIGMAR1

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 RRM1 2101/4885SIGMAR1 1551/4885EPOR 4245/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS RRM1 1972/4885SIGMAR1 1642/4885EPOR 4099/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS RRM1 1870/4885SIGMAR1 1771/4885EPOR 4156/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS RRM1 1870/4885SIGMAR1 1771/4885EPOR 4156/4885

“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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