SCHEMBL4013575

SCHEMBL4013575

CCOC(=O)c1nc(-c2ccc(OC(C)C)c(Cl)c2)no1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
S1PR1 P21453 16/20 0.55
S1PR3 Q99500 5/20 0.53
MAP4K4 O95819 3/20 0.53
MINK1 Q8N4C8 3/20 0.53
S1PR5 Q9H228 1/20 0.53
PRKCD Q05655 1/20 0.52
DYRK3 O43781 1/20 0.49
MARK3 P27448 1/20 0.49
PLK1 P53350 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49

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
SCHEMBL28816290 0.85 HTT (0.71) HTT
SCHEMBL29886352 0.85 HTT (0.71) HTT
SCHEMBL3740650 0.84 MAP4K4 (0.54) HTTS1PR1S1PR3MAP4K4MINK1
SCHEMBL17055825 0.82 HTT (0.62) HTTS1PR1S1PR5
SCHEMBL1420226 0.80 S1PR1 (0.69) S1PR1S1PR3MAP4K4MINK1S1PR5
SCHEMBL3930124 0.80 ACR (0.57) S1PR1S1PR3S1PR5
SCHEMBL3230760 0.79 HTT (0.68) HTT
SCHEMBL3745599 0.78 MAP4K4 (0.56) S1PR1S1PR3MAP4K4MINK1S1PR5
SCHEMBL3741047 0.77 S1PR1 (0.73) S1PR1S1PR3MAP4K4MINK1S1PR5
SCHEMBL28816448 0.77 HTT (0.66) HTT

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 HTT 4359/4885S1PR1 1120/4885S1PR3 1860/4885

“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.