SCHEMBL6513852

SCHEMBL6513852

Cc1cccc2c1nc(-c1ccccc1[N+](=O)[O-])n2CC(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
DCTPP1 Q9H773 2/20 0.38
CFTR P13569 1/20 0.36
SLC5A2 P31639 2/20 0.36
PPARG P37231 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
CASR P41180 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6514788 0.88 ALDH1A1 (0.38) MGAMGAASIMGAM2DCTPP1
SCHEMBL6514897 0.88 MGAM (0.46) MGAMGAASIMGAM2DCTPP1
SCHEMBL6511702 0.86 CFTR (0.47) MGAMCFTRHSD17B10LMNAALDH1A1
SCHEMBL6520390 0.85 ATM (0.36) DCTPP1CFTRSLC5A2PPARGALDH1A1
SCHEMBL6520363 0.84 MGAM (0.46) MGAMGAASIMGAM2DCTPP1
SCHEMBL6511599 0.83 MGAM (0.42) MGAMGAASIMGAM2DCTPP1
SCHEMBL7717021 0.76 MGAM (0.54) MGAMGAASIMGAM2HSD17B10
SCHEMBL6512290 0.71 ATM (0.40) DCTPP1PPARGALDH1A1SMN1; SMN2HTT
SCHEMBL6512733 0.70 CFTR (0.49) CFTRHSD17B10LMNAALDH1A1TSHR
SCHEMBL6514231 0.69 ATM (0.50) MGAMGAASIMGAM2PPARG

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.