SCHEMBL3221305

SCHEMBL3221305

NC(=O)CNC(=O)c1cncc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.62
SCN2A Q99250 3/20 0.37
SCN10A Q9Y5Y9 3/20 0.37
WDR5 P61964 1/20 0.36
KDM1A O60341 2/20 0.35
HDAC1 Q13547 2/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDR P35968 1/20 0.34
AURKA O14965 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
SCHEMBL3221391 0.90 GPR52 (0.66) GPR52WDR5S1PR4S1PR5
SCHEMBL1851733 0.90 GPR52 (0.76) GPR52KDM1AS1PR4S1PR5AURKA
SCHEMBL1850860 0.89 GPR52 (0.68) GPR52SCN2ASCN10AKDR
SCHEMBL1849029 0.86 GPR52 (0.60) GPR52S1PR4S1PR5
SCHEMBL3210245 0.85 GPR52 (0.61) GPR52KDM1AS1PR5
SCHEMBL1849478 0.84 GPR52 (0.59) GPR52WDR5S1PR4S1PR5
SCHEMBL3213500 0.84 GPR52 (0.60) GPR52S1PR4S1PR5
SCHEMBL3210995 0.83 GPR52 (0.56) GPR52S1PR4S1PR5AURKA
SCHEMBL3213146 0.83 GPR52 (0.81) GPR52S1PR4S1PR5
SCHEMBL3220912 0.82 GPR52 (0.54) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885SCN2A 223/4885SCN10A 690/4885

“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.