SCHEMBL6519028

SCHEMBL6519028

Cc1cccc2c1nc1n2CC(C(C)(C)C)Oc2c(Cl)cccc2-1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL6515667 0.91 HTR3A (0.36) HTR3APDE10A
SCHEMBL6514327 0.83 HTR3A (0.35) HTR3APDE10A
SCHEMBL6511445 0.74 ALDH1A1 (0.38) NPC1MAPTRAB9A
SCHEMBL6511338 0.69 HTR3A (0.37) HTR3ANPC1RAB9APDE10A
SCHEMBL6519093 0.69 GRM5 (0.30)
SCHEMBL6518540 0.67 LMNA (0.43) HTR3AGAANPC1MAPTRAB9A
SCHEMBL6519092 0.61 HTR3A (0.35) HTR3APDE10A
SCHEMBL6511705 0.60 HTR3A (0.42) HTR3ANPC1RAB9A
SCHEMBL6366681 0.58 TLR8 (0.40) NPC1RAB9APDE10A
SCHEMBL6514231 0.57 ATM (0.50) MGAMGAASIMGAM2CNR1

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 HTR3A 2282/4885MGAM 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.