SCHEMBL16429484

SCHEMBL16429484

NCCCCCC(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
MMP2 P08253 3/20 0.57
ANPEP P15144 1/20 0.52
MAOA P21397 2/20 0.50
CSNK1E P49674 1/20 0.50
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL16429100 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL8629574 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL8639910 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
Hydrochloric Acid SCHEMBL28198880 0.98 EPHX1 (0.57) EPHX1MMP2ANPEPMAOACSNK1E
Hydrochloric Acid SCHEMBL28199429 0.98 EPHX1 (0.57) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL8713206 0.98 EPHX1 (0.61) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL28200559 0.92 EPHX1 (0.64) EPHX1MMP2ANPEPMAOASLC6A2
SCHEMBL10202821 0.92 EPHX1 (0.64) EPHX1MMP2ANPEPMAOASLC6A2
SCHEMBL9182651 0.92 EPHX1 (0.70) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL27295809 0.92 EPHX1 (0.70) EPHX1MMP2ANPEPMAOACSNK1E

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 EPHX1 2233/4885MMP2 235/4885ANPEP 568/4885
US-10440955-B2 Methods comprising a biocidal polyamine SRM, SMOX, SMS EPHX1 1994/4885MMP2 119/4885ANPEP 451/4885
US-20180125070-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS EPHX1 2010/4885MMP2 197/4885ANPEP 626/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS EPHX1 2010/4885MMP2 197/4885ANPEP 626/4885

“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.