SCHEMBL6512276

SCHEMBL6512276

Cc1cccc2c1nc(-c1ccccc1F)n2CC(O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASR P41180 1/20 0.36
TLR8 Q9NR97 1/20 0.35
PPARG P37231 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CTSA P10619 3/20 0.34
ATM Q13315 1/20 0.34
CNR2 P34972 1/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6514788 0.80 ALDH1A1 (0.38) SLC5A2MGAMGAASIMGAM2
SCHEMBL6520390 0.77 ATM (0.36) SLC5A2TDP1PPARGATM
SCHEMBL6514231 0.72 ATM (0.50) MGAMGAASIMGAM2CASR
SCHEMBL5207236 0.69 ALDH1A1 (0.40) MGAMGAASIMGAM2KDM4E
SCHEMBL6514897 0.68 MGAM (0.46) MGAMGAASIMGAM2TDP1
SCHEMBL5202670 0.65 TLR8 (0.39) MGAMGAASIMGAM2TLR8
SCHEMBL5201635 0.65 ESR1 (0.46) GAAKDM4ETLR8PPARGLMNA
SCHEMBL5203544 0.64 TLR8 (0.41) MGAMGAASIMGAM2TLR8
SCHEMBL6520363 0.64 MGAM (0.46) MGAMGAASIMGAM2TDP1
SCHEMBL5204131 0.64 TLR8 (0.38) MGAMGAASIMGAM2TLR8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands NATIONAL SCIENCE FOUNDATION 2005-10-27 US 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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands TECR, PAICS, DCXR SLC5A2 4046/4885MGAM 1992/4885GAA 1671/4885

“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.