SCHEMBL1894452

SCHEMBL1894452

COc1ccc(C)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.81
POLB P06746 4/20 0.81
TP53 P04637 5/20 0.78
TSHR P16473 3/20 0.78
GAA P10253 1/20 0.78
HSD17B10 Q99714 1/20 0.78
SMN1; SMN2 Q16637 5/20 0.74
LMNA P02545 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73

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
SCHEMBL1008549 0.91 MAPT (0.81) MAPTPOLBTP53TSHRGAA
SCHEMBL1892373 0.89 MAPT (0.79) MAPTPOLBTP53TSHRGAA
SCHEMBL1006960 0.88 MAPT (0.77) MAPTPOLBTP53TSHRGAA
SCHEMBL12674201 0.87 MAPT (0.63) MAPTPOLBTP53TSHRGAA
SCHEMBL1894639 0.87 TSHR (0.78) MAPTPOLBTP53TSHRGAA
SCHEMBL12673982 0.87 MAPT (0.63) MAPTPOLBTP53TSHRGAA
SCHEMBL1890276 0.85 TP53 (0.93) MAPTPOLBTP53TSHRGAA
SCHEMBL12674202 0.84 MAPT (0.60) MAPTPOLBTP53TSHRGAA
SCHEMBL1007102 0.83 MAPT (0.69) MAPTPOLBTP53TSHRGAA
SCHEMBL1007882 0.81 SMN1; SMN2 (0.69) MAPTPOLBTP53TSHRGAA

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
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 4623/4885POLB 3571/4885TP53 3973/4885

“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.