SCHEMBL16429322

SCHEMBL16429322

NC(CCNCCCNCc1ccccc1)Cc1cc(CC(N)CCNCCCNCc2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.47
▸ MAOA P21397 1/20 0.45
▸ SIGMAR1 Q99720 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 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
SCHEMBL16429107 0.88 CHRNB2 (0.42) —
SCHEMBL16429268 0.87 CHRNB2 (0.41) SIGMAR1KCNH2
SCHEMBL16428940 0.86 MMP2 (0.40) KCNH2
Hydrochloric Acid SCHEMBL16246761 0.85 MMP2 (0.40) —
Hydrochloric Acid SCHEMBL16247177 0.85 MMP2 (0.40) —
SCHEMBL16428817 0.85 ERAP2 (0.35) KCNH2
SCHEMBL16429158 0.85 SIGMAR1 (0.44) SIGMAR1
SCHEMBL16429223 0.85 SIGMAR1 (0.44) SIGMAR1
SCHEMBL16264591 0.83 CHRM2 (0.63) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL18223040 0.83 CHRNA1 (0.39) CHRM2

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 CHRM2 3917/4885MAOA 116/4885SIGMAR1 1551/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS CHRM2 3986/4885MAOA 116/4885SIGMAR1 1642/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885SIGMAR1 1771/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS CHRM2 3947/4885MAOA 110/4885SIGMAR1 1771/4885

“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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