SCHEMBL1005566

SCHEMBL1005566

CCn1ncc(NC(=O)c2ccc(OCCn3nc(C(F)(F)F)c4c3CCCC4)cc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ MAPT P10636 7/20 0.44
▸ POLB P06746 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL1005567 0.88 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1083677 0.82 POLB (0.44) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL12674197 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPTPOLBGAA
SCHEMBL1007326 0.81 MAPT (0.49) SMN1; SMN2TSHRMAPTPOLBGAA
SCHEMBL1005372 0.81 ALDH1A1 (0.53) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1009492 0.80 MAPT (0.50) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1007243 0.80 POLB (0.63) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1893597 0.80 MAPT (0.51) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1008407 0.80 ALDH1A1 (0.50) SMN1; SMN2TSHRMAPTPOLBCYP1A2
SCHEMBL1007223 0.79 MAPT (0.53) SMN1; SMN2TSHRMAPTPOLBCYP1A2

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 — — US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 — — US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 — — 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885TSHR 134/4885MAPT 4623/4885

“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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