SCHEMBL6080347

SCHEMBL6080347

Nc1cccc2c(OCc3ccccc3)cc(C(=O)OCc3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2A P29274 2/20 0.39

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
SCHEMBL6080308 0.90 ALDH1A1 (0.44) MRGPRX4TDP1HDAC3HDAC4HDAC1
SCHEMBL6596767 0.89 MRGPRX4 (0.47) MRGPRX4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6080025 0.86 MRGPRX4 (0.42) MRGPRX4SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6081081 0.85 PTGER1 (0.45) MRGPRX4NPC1RAB9ASMN1; SMN2PTGER1
SCHEMBL6080943 0.83 FFAR1 (0.40) SLC6A2SLC6A3KMT2ATDP1HTT
SCHEMBL2906705 0.83 MAPT (0.49) MRGPRX4SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080197 0.82 CYP11B1 (0.42) SLC6A2SLC6A3KMT2ATDP1HTT
SCHEMBL6079780 0.82 APP (0.47) KMT2ATDP1HTTMAPTNPC1
SCHEMBL6080317 0.81 MEN1 (0.39) MRGPRX4KMT2AMAPTRAB9AL3MBTL1
SCHEMBL6080488 0.81 SMN1; SMN2 (0.42) MRGPRX4SLC6A2SLC6A3KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MRGPRX4 238/4885SLC6A2 797/4885SLC6A3 1620/4885

“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.