SCHEMBL1006583

SCHEMBL1006583

COc1ccc(Cl)cc1NC(=O)CCCn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.81
POLB P06746 5/20 0.81
TP53 P04637 7/20 0.78
TSHR P16473 3/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HPGD P15428 1/20 0.57
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
THRB P10828 2/20 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
SCHEMBL1893639 0.97 MAPT (0.79) MAPTPOLBTP53TSHRGAA
SCHEMBL1057420 0.88 MAPT (0.62) MAPTPOLBTP53TSHRGAA
SCHEMBL1057419 0.85 MAPT (0.58) MAPTPOLBTP53TSHRGAA
SCHEMBL1007557 0.85 MAPT (0.73) MAPTPOLBTP53TSHRGAA
SCHEMBL1892539 0.83 MAPT (0.56) MAPTPOLBTP53TSHRGAA
SCHEMBL1007661 0.82 MAPT (0.69) MAPTPOLBTP53TSHRGAA
SCHEMBL1008062 0.81 MAPT (0.79) MAPTPOLBTP53SMN1; SMN2LMNA
SCHEMBL1007604 0.81 MAPT (0.56) MAPTPOLBTP53TSHRGAA
SCHEMBL1009356 0.80 SMN1; SMN2 (0.62) MAPTPOLBTP53TSHRGAA
SCHEMBL1006822 0.80 POLB (0.63) 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 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.