SCHEMBL1005501

SCHEMBL1005501

O=C(Nc1nccs1)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 12/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 4/20 0.44
GRM1 Q13255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PARP1 P09874 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
SCHEMBL1894501 0.87 PARP1 (0.53) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1009744 0.85 MAPT (0.52) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1006846 0.83 SMN1; SMN2 (0.48) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1007169 0.82 MAPT (0.47) LMNAMAPTTSHRTP53SMN1; SMN2
SCHEMBL1008069 0.82 PARP1 (0.42) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1006791 0.82 LMNA (0.55) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1009644 0.82 CYP1A2 (0.46) LMNAMAPTTSHRNPSR1TP53
SCHEMBL8003022 0.82 MAPT (0.49) LMNAMAPTTSHRTP53SMN1; SMN2
SCHEMBL1008195 0.81 POLB (0.51) LMNAMAPTTSHRNPSR1TP53
SCHEMBL1006480 0.81 POLB (0.53) LMNAMAPTTSHRNPSR1TP53

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 6 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
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 LMNA 4015/4885MAPT 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.