SCHEMBL16435204

SCHEMBL16435204

NCCCNCc1cc(CNCCCN)cc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.56
▸ MC5R P33032 2/20 0.56
▸ MC3R P41968 1/20 0.56
▸ BCHE P06276 2/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ DRD4 P21917 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL16151768 0.97 MC4R (0.54) MC4RMC5RMC3RBCHELTA4H
Hydrochloric Acid SCHEMBL29778308 0.96 MC4R (0.52) MC4RMC5RMC3RBCHELTA4H
SCHEMBL25047737 0.89 MC4R (0.59) MC4RMC5RMC3RBCHEKDM4E
SCHEMBL25047684 0.83 KDM4E (0.60) MC4RMC5RMC3RBCHELTA4H
SCHEMBL3025568 0.80 LTA4H (0.62) MC4RMC5RMC3RBCHELTA4H
SCHEMBL16264603 0.80 BCHE (0.59) MC4RMC5RMC3RBCHECHRM2
SCHEMBL16429181 0.79 MC4R (0.39) MC4RMC5RMC3RLTA4HDRD4
SCHEMBL16151783 0.79 MC4R (0.58) MC4RMC5RMC3RSMN1; SMN2MAOA
SCHEMBL16264586 0.79 MC4R (0.57) MC4RMC5RMC3RSMN1; SMN2MAOA
SCHEMBL16429310 0.79 MARS1 (0.49) BCHELTA4HKDM4EALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2018-05-10 — — US disclosed
US-9220267-B2 Methods of use comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-12-29 — — US disclosed
US-20150038705-A1 METHODS OF USE COMPRISING A BIOCIDAL POLYAMINE CURZA GLOBAL, LLC 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-20150038705-A1 METHODS OF USE COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4842/4885MC5R 4508/4885MC3R 4645/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MC4R 4831/4885MC5R 4420/4885MC3R 4585/4885

“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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