SCHEMBL1007678

SCHEMBL1007678

CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
POLB P06746 2/20 0.56
TP53 P04637 4/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
THRB P10828 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
SCHEMBL1008186 0.89 ALDH1A1 (0.54) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1893424 0.85 ALDH1A1 (0.45) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1007605 0.84 POLB (0.63) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1007066 0.82 SMN1; SMN2 (0.63) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1890413 0.82 MAPT (0.57) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1896530 0.81 MAPT (0.69) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1005492 0.81 POLB (0.59) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1006664 0.80 MAPT (0.56) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1007931 0.79 SMN1; SMN2 (0.62) MAPTPOLBTP53LMNACYP1A2
SCHEMBL8002582 0.78 MAPT (0.53) MAPTPOLBTP53LMNACYP1A2

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 4 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
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

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.