SCHEMBL6500424

SCHEMBL6500424

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nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
DYRK3 O43781 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
CYP19A1 P11511 7/20 0.31
CYP17A1 P05093 3/20 0.31
DPP4 P27487 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
SCHEMBL3320762 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL3320759 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL5142163 1.00 TDP1 (0.34) TDP1SCN1ASCN2ASCN3ADYRK3
SCHEMBL3886872 0.81 ALDH1A1 (0.33) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL28496084 0.81 ALDH1A1 (0.33) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL20888313 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20888312 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9186280 0.69 TDP1 (0.40) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6939096 0.66 TDP1 (0.38) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL19994041 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 EP disclosed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US disclosed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO 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 (2 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-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 TDP1 3646/4885SCN1A 2084/4885SCN2A 2578/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 TDP1 3646/4885SCN1A 2084/4885SCN2A 2578/4885

“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.