SCHEMBL6514231

SCHEMBL6514231

Cc1cccc2c1nc(-c1ccccc1Cl)n2CC(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
PPARG P37231 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CASR P41180 1/20 0.38
HSD11B1 P28845 2/20 0.37
TLR8 Q9NR97 1/20 0.37
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE6D O43924 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 1/20 0.37

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 0.80 MGAM (0.46) ATMLMNAMGAMGAASI
SCHEMBL6512290 0.74 ATM (0.40) ATMPPARGMAPK1HTTSMN1; SMN2
SCHEMBL6520390 0.73 ATM (0.36) ATMPPARG
SCHEMBL6512276 0.72 SLC5A2 (0.39) ATMLMNAMGAMGAASI
SCHEMBL6514788 0.67 ALDH1A1 (0.38) LMNAMGAMGAASIMGAM2
SCHEMBL14764869 0.67 PDE2A (0.70) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL28494472 0.65 PARP1 (0.49) GAAPPARGSMN1; SMN2
SCHEMBL28494471 0.64 ALDH1A1 (0.44) LMNAGAAPPARGHTTSMN1; SMN2
SCHEMBL6139477 0.64 P2RX3 (0.48)
SCHEMBL10250927 0.64 PIK3CD (0.65) ATMMGAMGAASIMGAM2

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 ATM 2834/4885LMNA 1745/4885MGAM 1992/4885

“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.