SCHEMBL1009356

SCHEMBL1009356

COc1ccc(NC(=O)CCCn2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 10/20 0.62
LMNA P02545 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TP53 P04637 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
THRB P10828 2/20 0.57
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.52

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
SCHEMBL1006457 0.97 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1009463 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1005654 0.88 MAPT (0.79) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1007171 0.87 ALDH1A1 (0.67) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL1009395 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1008333 0.84 ALDH1A1 (0.62) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL1891585 0.83 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1007424 0.83 MAPT (0.57) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1008068 0.81 HTT (0.58) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL1006822 0.80 POLB (0.63) SMN1; SMN2MAPTLMNATP53CYP1A2

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 SMN1; SMN2 3616/4885MAPT 4623/4885LMNA 4015/4885

“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.