SCHEMBL6511307

SCHEMBL6511307

Cc1cccc2[nH]c(-c3ccccc3Cl)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 14/20 1.00
GAA P10253 14/20 1.00
SI P14410 14/20 1.00
MGAM2 Q2M2H8 14/20 1.00
PARP1 P09874 1/20 0.60
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
ESR1 P03372 1/20 0.56
CBFB Q13951 1/20 0.56
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL29056520 0.81 MGAM (0.68) MGAMGAASIMGAM2PARP1
SCHEMBL8818813 0.81 MGAM (0.68) MGAMGAASIMGAM2PARP1
SCHEMBL6511197 0.81 MGAM (1.00) MGAMGAASIMGAM2PARP1
SCHEMBL11199113 0.81 MGAM (1.00) MGAMGAASIMGAM2ESR1
SCHEMBL5201397 0.81 MGAM (0.68) MGAMGAASIMGAM2NPC1
SCHEMBL1170892 0.81 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL6520351 0.81 MGAM (0.67) MGAMGAASIMGAM2PARP1
SCHEMBL6807332 0.79 MGAM (0.69) MGAMGAASIMGAM2ESR1
SCHEMBL14012670 0.79 MGAM (0.65) MGAMGAASIMGAM2PARP1
SCHEMBL11119172 0.78 MGAM (0.63) MGAMGAASIMGAM2ESR1

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.