SCHEMBL1008037

SCHEMBL1008037

O=C(NCCCn1ccnc1)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL1007202 0.84 MEN1 (0.49) KMT2AMEN1SMN1; SMN2LMNAALOX15
SCHEMBL1895253 0.80 PARP1 (0.56) SMN1; SMN2POLBGAA
SCHEMBL1007915 0.79 ALDH1A1 (0.56) SMN1; SMN2LMNANPSR1POLBGAA
SCHEMBL1006821 0.79 MAPT (0.53) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL1895449 0.78 LMNA (0.54) SMN1; SMN2LMNANPSR1POLBGAA
SCHEMBL1062772 0.77 MAPT (0.51) SMN1; SMN2LMNANPC1POLBGAA
SCHEMBL1007029 0.77 LMNA (0.56) LMNANPSR1POLBGAATSHR
SCHEMBL1006093 0.77 MAPT (0.57) LMNANPSR1POLBGAATSHR
SCHEMBL1009396 0.77 LMNA (0.51) SMN1; SMN2LMNANPSR1POLBGAA
SCHEMBL1008025 0.77 MAPT (0.53) KMT2AMEN1LMNATSHR

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 5 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

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 KMT2A 1139/4885MEN1 1454/4885SMN1; SMN2 3616/4885

“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.