SCHEMBL1895564

SCHEMBL1895564

COc1cccc(NC(=O)c2ccccc2Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 7/20 0.53
POLB P06746 4/20 0.53
TP53 P04637 4/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 8/20 0.52
THRB P10828 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL1895799 0.91 SMN1; SMN2 (0.56) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1006940 0.87 POLB (0.56) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1895101 0.87 MAPT (0.69) TSHRSMN1; SMN2POLBTP53LMNA
SCHEMBL1895722 0.85 MAPT (0.56) TSHRGAAHSD17B10SMN1; SMN2TP53
SCHEMBL1007124 0.83 POLB (0.54) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1007292 0.82 POLB (0.52) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1007401 0.82 POLB (0.69) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1895205 0.82 POLB (0.58) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL8003781 0.81 POLB (0.61) TSHRGAAHSD17B10SMN1; SMN2POLB
SCHEMBL1009463 0.80 SMN1; SMN2 (0.60) TSHRGAAHSD17B10SMN1; SMN2TP53

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 TSHR 134/4885GAA 4077/4885HSD17B10 2980/4885

“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.