SCHEMBL6511599

SCHEMBL6511599

CCCCC(O)Cn1c(-c2ccccc2[N+](=O)[O-])nc2c(C)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TLR8 Q9NR97 1/20 0.39
PPARG P37231 1/20 0.38
DCTPP1 Q9H773 1/20 0.36
ATM Q13315 1/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PABPC1 P11940 1/20 0.35
CFTR P13569 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL6514897 0.86 MGAM (0.46) MGAMGAASIMGAM2PPARG
SCHEMBL6513852 0.83 MGAM (0.44) MGAMGAASIMGAM2PPARG
SCHEMBL6520363 0.77 MGAM (0.46) MGAMGAASIMGAM2PPARG
SCHEMBL7717021 0.74 MGAM (0.54) MGAMGAASIMGAM2MAPT
SCHEMBL6512290 0.73 ATM (0.40) PPARGDCTPP1ATMSMN1; SMN2
SCHEMBL6512733 0.73 CFTR (0.49) ATMMAPTKMT2ACFTRKDM4E
SCHEMBL6514788 0.71 ALDH1A1 (0.38) MGAMGAASIMGAM2TLR8
SCHEMBL6511702 0.69 CFTR (0.47) MGAMATMAGTR1AGTR2MAPT
SCHEMBL6520390 0.69 ATM (0.36) PPARGDCTPP1ATMCFTR
SCHEMBL6514231 0.66 ATM (0.50) 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 MGAM 1992/4885GAA 1671/4885SI 40/4885

“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.