SCHEMBL1006529

SCHEMBL1006529

O=C(NCc1ccc(F)cc1)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
GRIA2 P42262 2/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 7/20 0.44
LMNA P02545 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1008168 0.89 SMN1; SMN2 (0.46) SMN1; SMN2GRIA2CYP1A2CYP2C9CYP2C19
SCHEMBL1009644 0.86 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C19CYP2D6MAPT
SCHEMBL1008069 0.84 PARP1 (0.42) SMN1; SMN2CYP1A2CYP2C19CYP2D6MAPT
SCHEMBL1007814 0.84 LMNA (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2D6MAPT
SCHEMBL1006846 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GRIA2CYP1A2CYP2C19MAPT
SCHEMBL1006791 0.83 LMNA (0.55) SMN1; SMN2MAPTLMNATP53GAA
SCHEMBL1009744 0.82 MAPT (0.52) CYP1A2CYP2C19MAPTLMNATP53
SCHEMBL1006480 0.81 POLB (0.53) SMN1; SMN2CYP1A2CYP2C19MAPTLMNA
SCHEMBL1007169 0.80 MAPT (0.47) SMN1; SMN2CYP1A2CYP2C19MAPTLMNA
SCHEMBL1005501 0.80 LMNA (0.45) SMN1; SMN2CYP1A2CYP2C19MAPTLMNA

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
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 SMN1; SMN2 3616/4885GRIA2 23/4885CYP1A2 2476/4885

“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.