SCHEMBL1005567

SCHEMBL1005567

CCn1ncc(NCc2ccc(OCCn3nc(C(F)(F)F)c4c3CCCC4)cc2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ MAPT P10636 6/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 4/20 0.42
▸ GRIA2 P42262 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL1005566 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1005372 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1007243 0.77 POLB (0.63) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1008407 0.77 ALDH1A1 (0.50) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1008257 0.77 LMNA (0.45) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1009404 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1007194 0.74 ALDH1A1 (0.56) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1893597 0.73 MAPT (0.51) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL1894551 0.73 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL12674197 0.73 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTSHRLMNAGAA

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 2 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
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP 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 3616/4885MAPT 4623/4885TSHR 134/4885

“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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