SCHEMBL4537474

SCHEMBL4537474

NCCCN1CCCN(CCN)CC1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.65
KEAP1 Q14145 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 3/20 0.47
CYP2D6 P10635 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ACE2 Q9BYF1 1/20 0.44
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9130109 0.95 KEAP1 (0.58) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL2025055 0.92
SCHEMBL4559690 0.92 ALOX15 (0.77) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL7643516 0.92 ALOX15 (0.77) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL22691893 0.89 ALOX15 (0.81) ALOX15KEAP1SMN1; SMN2SIGMAR1HRH3
SCHEMBL17493165 0.87 ALOX15 (0.68) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL6276732 0.87
Hydrochloric Acid SCHEMBL3671864 0.87 ALOX15 (0.77) ALOX15KEAP1SMN1; SMN2SIGMAR1HRH3
SCHEMBL13876470 0.87 SMN1; SMN2 (0.61) ALOX15KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL291327 0.87

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-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-21 US disclosed
US-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM OAK RIDGE NATIONAL LABORATORY 2022-07-21 US disclosed
WO-2020237079-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 WO disclosed
EP-2638020-B1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-07 EP disclosed
US-8993759-B2 Transamination of nitrogen-containing compounds to make cyclic and cyclic/acyclic polyamine mixtures DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-31 US disclosed
EP-2638020-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES Dow Global Technologies LLC (US) 2013-09-18 EP disclosed
US-20130231476-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2013-09-05 US disclosed
WO-2012064483-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-18 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 (3 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-20220227724-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE UNCHARGED BISOXIME ANTIDOTES FOR ORGANOPHOSPHATE POISONING AND METHODS FOR MAKING AND USING THEM BCHE, ACHE, FHIT ALOX15 908/4885KEAP1 271/4885SMN1; SMN2 1520/4885
US-11820749-B2 Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them BCHE, ACHE, FHIT ALOX15 908/4885KEAP1 271/4885SMN1; SMN2 1520/4885
US-20130231476-A1 TRANSAMINATION OF NITROGEN-CONTAINING COMPOUNDS TO MAKE CYCLIC AND CYCLIC/ACYCLIC POLYAMINE MIXTURES SRM, NNMT, GNMT ALOX15 4190/4885KEAP1 2181/4885SMN1; SMN2 1020/4885

“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.