SCHEMBL20127870

SCHEMBL20127870

CCCCNCc1cc(CNCCCC)cc(CNCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CYP3A4 P08684 1/20 0.42
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL16151784 1.00 MAOA (0.49) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16151785 0.99 MAOA (0.48) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16152237 0.94 MAOA (0.54) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16152238 0.93 MAOA (0.52) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL17125692 0.93 MAOA (0.46) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16151781 0.91 CYP3A4 (0.46) MAOAMAOBTDP1CA1CA2
SCHEMBL29778331 0.89 CA12 (0.49) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16152233 0.86 MAOA (0.50) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16152225 0.86 MAOA (0.50) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL18875937 0.85 MAOA (0.59) MAOAMAOBTDP1MEN1KMT2A

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 2 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

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-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MAOA 116/4885MAOB 81/4885TDP1 419/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOA 110/4885MAOB 89/4885TDP1 450/4885

“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.