SCHEMBL4908010

SCHEMBL4908010

COC(=O)Nc1cc(C(=O)c2cc(C)nc(N(C)C)c2)cc(-c2cccc3[nH]ccc23)c1.Cc1cc(C(=O)c2cc(Br)cc(Br)c2)cc(N(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.41
ABL1 P00519 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PIK3CD O00329 2/20 0.34
PIM1 P11309 2/20 0.34
PIK3CB P42338 2/20 0.34
GSK3B P49841 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 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
SCHEMBL4794843 0.95 HPGDS (0.44) HPGDSABL1PIK3CDPIM1PIK3CB
SCHEMBL3937422 0.89 HPGDS (0.43) HPGDSABL1S1PR1S1PR3PIK3CD
SCHEMBL3933459 0.87 HPGDS (0.48) HPGDSABL1S1PR1S1PR3PIK3CD
SCHEMBL4794059 0.86 HPGDS (0.45) HPGDSABL1PIK3CDPIM1PIK3CB
SCHEMBL4794385 0.84 HPGDS (0.45) HPGDSABL1PIK3CDPIM1PIK3CB
SCHEMBL4780990 0.82 PIP4K2A (0.51) HPGDSABL1PIK3CDPIM1PIK3CB
SCHEMBL3927726 0.82 HPGDS (0.44) HPGDSABL1S1PR1S1PR3PIK3CD
SCHEMBL3929384 0.81 HPGDS (0.43) HPGDSABL1S1PR1S1PR3PIK3CD
SCHEMBL4796842 0.81 HPGDS (0.46) HPGDSABL1PIK3CDPIM1PIK3CB
SCHEMBL3933604 0.81 HPGDS (0.42) HPGDSABL1PIK3CDPIM1PIK3CB

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HPGDS 2387/4885ABL1 2221/4885S1PR1 2663/4885

“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.