SCHEMBL1006441

SCHEMBL1006441

COc1ccc(Cn2nc(CO)c3c2CCCCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PTGS2 P35354 2/20 0.44
FABP4 P15090 1/20 0.43
PTGS1 P23219 1/20 0.43
STAT3 P40763 1/20 0.41
HTR6 P50406 1/20 0.41
PTGIR P43119 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KCNK3 O14649 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
ACP1 P24666 1/20 0.39
PKM P14618 1/20 0.39
CHKA P35790 1/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL1007492 0.84 HTT (0.46) SMN1; SMN2FABP4KCNK3HTTALDH1A1
SCHEMBL8430774 0.83 MEN1 (0.47) SMN1; SMN2FABP4KCNK3MEN1KMT2A
SCHEMBL1894478 0.83 PTGS2 (0.44) SMN1; SMN2PTGS2FABP4PTGS1STAT3
SCHEMBL1005503 0.82 HRH3 (0.47) SMN1; SMN2HRH3ALDH1A1
SCHEMBL10479729 0.81 LMNA (0.46) SMN1; SMN2FABP4STAT3KCNK3MEN1
SCHEMBL25567708 0.80 SMN1; SMN2 (0.47) SMN1; SMN2PTGS2FABP4PTGS1STAT3
SCHEMBL17868731 0.79 KCNK3 (0.54) SMN1; SMN2HRH3KCNK3
SCHEMBL16731505 0.78 SMN1; SMN2 (0.44) SMN1; SMN2PTGS2FABP4PTGS1STAT3
SCHEMBL16731504 0.77 SMN1; SMN2 (0.43) SMN1; SMN2PTGS2FABP4PTGS1STAT3
SCHEMBL10479492 0.76 PTGS2 (0.54) PTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP claimed
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 3616/4885PTGS2 3672/4885FABP4 4538/4885

“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.