SCHEMBL16172090

SCHEMBL16172090

N=C(N)NCCCOc1cc(-c2ccc3sc4ccc(-c5cc(OCCCNC(=N)N)c(OCCCNC(=N)N)c(OCCCNC(=N)N)c5)cc4c3c2)cc(OCCCNC(=N)N)c1OCCCNC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 3/20 0.31

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
SCHEMBL16169705 0.94 F9 (0.32) F9F10PRSS1
SCHEMBL16169703 0.87 PIM1 (0.33) —
SCHEMBL15805867 0.85 F9 (0.36) F9F10PRSS1
SCHEMBL16169694 0.81 F9 (0.34) F9F10
SCHEMBL16169701 0.77 CSF3R (0.36) F9
SCHEMBL16169700 0.74 PIM1 (0.39) —
SCHEMBL15805960 0.74 PIM1 (0.39) —
SCHEMBL10198641 0.73 F10 (0.46) F9F10
SCHEMBL16169699 0.70 PIM1 (0.40) —
SCHEMBL10260041 0.70 F10 (0.43) F9F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 — — 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 F9 1851/4885F10 1448/4885PRSS1 1183/4885

“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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