SCHEMBL8000406

SCHEMBL8000406

O=C(Nc1ccccc1)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
TP53 P04637 5/20 0.53
LMNA P02545 4/20 0.52
THRB P10828 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.48
POLQ O75417 1/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1009155 0.90 MAPT (0.48) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1007215 0.85 LMNA (0.56) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1080699 0.85 MAPT (0.46) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1007241 0.84 LMNA (0.47) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1006942 0.84 LMNA (0.46) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1008343 0.83 NPC1 (0.51) MAPTTP53LMNATHRBPOLB
SCHEMBL1007262 0.82 KMT2A (0.44) MAPTTP53LMNAPOLBPOLQ
SCHEMBL1007573 0.82 SMN1; SMN2 (0.49) MAPTTP53LMNATHRBCYP1A2
SCHEMBL1009850 0.82 POLQ (0.47) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1007831 0.81 LMNA (0.51) MAPTTP53LMNATHRBCYP1A2

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
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 4623/4885TP53 3973/4885LMNA 4015/4885

“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.