SCHEMBL4801600

SCHEMBL4801600

c1ccc(C(NCCCCNCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
KCNN4 O15554 2/20 0.52
SIGMAR1 Q99720 7/20 0.45
DUT P33316 1/20 0.45
CHRM2 P08172 1/20 0.45
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL12264133 0.91 KIF11 (0.68) KIF11KCNN4SIGMAR1DUT
SCHEMBL6251086 0.90 KIF11 (0.57) KIF11KCNN4SIGMAR1DUTCHRM2
SCHEMBL29679194 0.85 KIF11 (0.65) KIF11KCNN4SIGMAR1DUTCHRM2
SCHEMBL9472251 0.83 DRD4 (0.69)
SCHEMBL12264131 0.82 KIF11 (0.74) KIF11KCNN4DUT
SCHEMBL2283152 0.82 KIF11 (0.74) KIF11KCNN4DUTCHRM2GRIN1
SCHEMBL3684180 0.82 KIF11 (0.57) KIF11KCNN4DUT
SCHEMBL20644264 0.82 KCNN4 (0.61) KIF11KCNN4SIGMAR1DUT
SCHEMBL9617559 0.80 KIF11 (0.78) KIF11KCNN4SIGMAR1DUT
SCHEMBL14286703 0.80 KIF11 (0.55) KIF11KCNN4DUTMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425579-B2 Methods for inhibiting activity of polyamine transporters UNIVERSITE LAVAL (CA) 2008-09-16 US disclosed
US-20050267220-A1 Methods for inhibiting activity of polyamine transporters UNIVERSITE LAVAL (CA) 2005-12-01 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-20050267220-A1 Methods for inhibiting activity of polyamine transporters SLC7A1, SLC6A7, SLC1A5 KIF11 3950/4885KCNN4 2007/4885SIGMAR1 529/4885

“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.