SCHEMBL1080699

SCHEMBL1080699

Cn1ccc(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.46
▸ TP53 P04637 4/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ THRB P10828 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 5/20 0.44
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8000406 0.85 MAPT (0.53) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1007241 0.83 LMNA (0.47) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1007919 0.82 LMNA (0.47) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1006942 0.81 LMNA (0.46) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1009155 0.81 MAPT (0.48) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1007215 0.81 LMNA (0.56) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1008343 0.80 NPC1 (0.51) MAPTTP53THRBPOLBSMN1; SMN2
SCHEMBL1007573 0.80 SMN1; SMN2 (0.49) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1009148 0.80 GRIA2 (0.49) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1007990 0.80 MAPT (0.69) MAPTTP53THRBPOLBSMN1; SMN2

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
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP 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 MAPT 4623/4885TP53 3973/4885CYP1A2 2476/4885

“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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