SCHEMBL16429306

SCHEMBL16429306

NCCCNCCC(N)Cc1cc(CC(N)CCNCCCN)cc(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.44
▸ LTA4H P09960 3/20 0.44
▸ EPOR P19235 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ GRIA1 P42261 1/20 0.39

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
SCHEMBL16429080 0.86 MEN1 (0.46) BCHELTA4HEPORRAB9ASMN1; SMN2
SCHEMBL16429181 0.85 MC4R (0.39) LTA4HMMP2CHRNA1CHRNGCHRNB1
SCHEMBL2403063 0.81 MC4R (0.43) MEN1KMT2AMMP2CHRNA1CHRNG
SCHEMBL18223036 0.81 CA12 (0.43) SMN1; SMN2MEN1KMT2AMMP2
SCHEMBL16264603 0.81 BCHE (0.59) BCHE
SCHEMBL16428940 0.81 MMP2 (0.40) MMP2CHRNA1CHRNGCHRNB1CHRND
SCHEMBL16429433 0.80 CHRNA1 (0.42) MMP2CHRNA1CHRNGCHRNB1CHRND
Hydrochloric Acid SCHEMBL16247087 0.80 MC4R (0.42) SMN1; SMN2MMP2CHRNA1CHRNGCHRNB1
SCHEMBL16429184 0.80 ALDH1A1 (0.38) KMT2A
Hydrochloric Acid SCHEMBL16246761 0.80 MMP2 (0.40) MMP2CHRNA1CHRNGCHRNB1CHRND

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 BCHE 589/4885LTA4H 2604/4885EPOR 4245/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS BCHE 519/4885LTA4H 2345/4885EPOR 4099/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS BCHE 475/4885LTA4H 2411/4885EPOR 4156/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS BCHE 475/4885LTA4H 2411/4885EPOR 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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