SCHEMBL4809730

SCHEMBL4809730

NCCCC(N)NC(N)CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA1 P00915 2/20 0.33
CA3 P07451 2/20 0.33
GSR P00390 1/20 0.33
DNM1 Q05193 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CASP2 P42575 2/20 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
SCHEMBL675007 0.88 DNM1 (0.44) NFKB1CA12CA2CA4CA6
SCHEMBL16740665 0.80 TRPV1 (0.39) GSR
SCHEMBL29203887 0.75 TRPV1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL3817275 0.75 CA12 (0.38) CA12CA2CA4CA6CA5A
SCHEMBL2026328 0.73 OPRM1 (0.43) CA2CA1DNM1TSHR
SCHEMBL27767766 0.71
SCHEMBL721340 0.71 OPRM1 (0.55) LMNABLMCYP1A2THPOUBE2N
SCHEMBL771021 0.69 NFKB1 (0.43) NFKB1CA12CA2CA4CA6
SCHEMBL937931 0.69
SCHEMBL238918 0.69 NFKB1 (0.43) NFKB1CA12CA2CA4CA6

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-7347984-B2 Mammalian agmatinase inhibitory substance JACKSON STATE UNIVERSITY (US) 2008-03-25 US disclosed
US-20050220707-A1 Mammalian agmatinase inhibitory substance JACKSON STATE UNIVERSITY 2005-10-06 US disclosed
US-5389707-A Flame-retardant additives MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1995-02-14 US disclosed
US-5344931-A Salts of triazinic compounds with phosphorus oxyacids, and use of said compounds in self-extinguishing polymeric compositions MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-09-06 US disclosed
EP-0537837-A1 Salts of triazinic compounds with phosphorus oxyacids, and use of said compounds in self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-04-21 EP disclosed
US-5104986-A Polymeric flame retarders MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGIA (IT) 1992-04-14 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 (1 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-20050220707-A1 Mammalian agmatinase inhibitory substance ENGASE, DNPEP, GPI NFKB1 3838/4885CA12 1668/4885CA2 2003/4885

“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.