SCHEMBL14019759

SCHEMBL14019759

CN(/N=C/C1CCN(CCCCCCn2cc[n+](CCCCn3ccnc3)c2)CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL13717020 0.83 TBXAS1 (0.33) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4583954 0.83 TBXAS1 (0.37) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4583949 0.83 TBXAS1 (0.37) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL13717219 0.82 TBXAS1 (0.33) TBXAS1MEN1KMT2ALMNAMAPK1
Bromide SCHEMBL3936424 0.82 TBXAS1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
Bromide SCHEMBL3936422 0.82 TBXAS1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4602896 0.80 MEN1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4602891 0.80 MEN1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4584737 0.80 TBXAS1 (0.37) TBXAS1MEN1KMT2ALMNAMAPK1
Bromide SCHEMBL3930970 0.79 MEN1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1

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-20080263785-A1 Polycationic monochromophoric hydrazone compounds, dye compositions comprising such polycationic compounds and dyeing process using them L'OREAL S.A. (FR) 2008-10-30 — — 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-20080263785-A1 Polycationic monochromophoric hydrazone compounds, dye compositions comprising such polycationic compounds and dyeing process using them KRT18, CKMT1A; CKMT1B, XRCC5 TBXAS1 4801/4885HTR7 2099/4885MEN1 2823/4885

“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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