SCHEMBL16428992

SCHEMBL16428992

NCCCNCCC(N)Cc1cc(CC(N)CCNCCCN)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SYK P43405 1/20 0.33
▸ AGXT P21549 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MC4R P32245 1/20 0.31
▸ MC5R P33032 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CASP2 P42575 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ F13A1 P00488 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL18223044 0.91 MC4R (0.36) MMP2MC4RMC5RMC3RCASP2
SCHEMBL16428940 0.86 MMP2 (0.40) MMP2MC4RMC5RMC3RKCNH2
Hydrochloric Acid SCHEMBL16246761 0.85 MMP2 (0.40) MMP2MC4RMC5RMC3RCHRNB2
SCHEMBL16429107 0.85 CHRNB2 (0.42) MMP2MC4RMC5RMC3RCHRNB2
Hydrochloric Acid SCHEMBL16247177 0.85 MMP2 (0.40) MMP2MC4RMC5RMC3RCHRNB2
SCHEMBL18223036 0.84 CA12 (0.43) MMP2MC4RMC5RMC3RCASP2
SCHEMBL16429458 0.84 GRIA1 (0.36) MMP2MC4RMC5RMC3RCASP2
SCHEMBL18223040 0.83 CHRNA1 (0.39) CHRM2MMP2MC4RMC5RMC3R
SCHEMBL16429473 0.82 CARM1 (0.41) CYP2D6MEN1CYP2C19KMT2A
SCHEMBL16428946 0.81 SLC2A1 (0.33) CASP2MEN1CA12F13A1CA2

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 MAOB 93/4885CHRM2 3917/4885SYK 1360/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS MAOB 81/4885CHRM2 3986/4885SYK 1251/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOB 89/4885CHRM2 3947/4885SYK 1245/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MAOB 89/4885CHRM2 3947/4885SYK 1245/4885

“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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