SCHEMBL16247109

SCHEMBL16247109

CC(C)CNCCCNC(CCN)Cc1cccc(CC(CCN)NCCCNCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL18223041 0.93 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ATP53CYP1A2
SCHEMBL16428818 0.87 SIGMAR1 (0.39) SIGMAR1MEN1KMT2A
SCHEMBL16429434 0.86 CHRNA1 (0.41) SIGMAR1
SCHEMBL16247108 0.86 SIGMAR1 (0.32) SIGMAR1
SCHEMBL16429081 0.84 MEN1 (0.44) SIGMAR1MEN1KMT2AKDM4E
SCHEMBL16428822 0.83 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL16428820 0.83 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL2403061 0.83 SIGMAR1 (0.44) SIGMAR1MEN1KMT2ATP53CYP1A2
Hydrochloric Acid SCHEMBL16247089 0.82 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ATP53CYP1A2
SCHEMBL16429300 0.81 SIGMAR1 (0.38) SIGMAR1MEN1KMT2A

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 8 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
EP-2999345-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE Curza Global LLC (US) 2016-03-30 — — EP disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 — — US disclosed
WO-2014190096-A1 COMPOSITIONS AND METHODS COMPRISING A POLYAMINE CURZA GLOBAL, LLC (US) 2014-11-27 — — WO 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 SIGMAR1 1551/4885MEN1 1109/4885KMT2A 2137/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS SIGMAR1 1642/4885MEN1 1586/4885KMT2A 2076/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885MEN1 1222/4885KMT2A 1888/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS SIGMAR1 1771/4885MEN1 1222/4885KMT2A 1888/4885

“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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