SCHEMBL16169694

SCHEMBL16169694

CC(=N)NCCCOc1cc(OCCCNC(=N)N)cc(-c2ccc3sc4ccc(-c5cc(OCCCNC(=N)N)cc(OCCCNC(=N)N)c5)cc4c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 8/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ F10 P00742 5/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ MTNR1A P48039 2/20 0.30
▸ MTNR1B P49286 2/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ CSF3R Q99062 1/20 0.30

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
SCHEMBL16169701 0.96 CSF3R (0.36) F9L3MBTL1PIM1PIM2CSF3R
SCHEMBL15805867 0.94 F9 (0.36) F9F10CHEK1
SCHEMBL16169703 0.90 PIM1 (0.33) PIM1PIM2CSF3R
SCHEMBL16169705 0.87 F9 (0.32) F9F10MTNR1AMTNR1B
SCHEMBL16419736 0.83 L3MBTL1 (0.40) L3MBTL1F10MTNR1AMTNR1B
SCHEMBL16172090 0.81 F9 (0.33) F9F10
SCHEMBL16419740 0.80 L3MBTL1 (0.45) L3MBTL1F10MTNR1AMTNR1B
SCHEMBL16284389 0.78 F10 (0.43) F9L3MBTL1F10MTNR1AMTNR1B
SCHEMBL16419774 0.77 ABL1 (0.35) F9L3MBTL1F10
SCHEMBL15037015 0.77 PRSS1 (0.42) L3MBTL1F10MTNR1AMTNR1B

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 1851/4885L3MBTL1 1079/4885F10 1448/4885

“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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