SCHEMBL1895484

SCHEMBL1895484

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NC1(c2cccs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
MAPT P10636 7/20 0.55
TP53 P04637 3/20 0.55
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.54
THRB P10828 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL1007931 0.79 SMN1; SMN2 (0.62) TSHRMAPTTP53LMNAPOLB
SCHEMBL1005696 0.78 TDP1 (0.61) TSHRMAPTTP53LMNAPOLB
SCHEMBL1008071 0.77 SMN1; SMN2 (0.62) TSHRMAPTTP53LMNAPOLB
SCHEMBL1007678 0.77 MAPT (0.56) TSHRMAPTTP53LMNAPOLB
SCHEMBL1007403 0.73 MAPT (0.80) TSHRMAPTTP53LMNAPOLB
SCHEMBL1007993 0.73 MAPT (0.57) TSHRMAPTTP53LMNAPOLB
SCHEMBL8002582 0.73 MAPT (0.53) TSHRMAPTTP53LMNAPOLB
SCHEMBL1005241 0.73 SMN1; SMN2 (0.64) TSHRMAPTTP53LMNAPOLB
SCHEMBL1059044 0.73 POLB (0.63) TSHRMAPTTP53LMNAPOLB
SCHEMBL3453379 0.73 MAPT (0.62) TSHRMAPTTP53LMNAPOLB

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 134/4885MAPT 4623/4885TP53 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.