SCHEMBL6079919

SCHEMBL6079919

O=C(OCc1ccccc1)c1ccc2c(C#Cc3ccccc3)ccc(OCc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ADORA3 P0DMS8 3/20 0.40
XDH P47989 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL6593178 0.90 XDH (0.47) XDHHDAC3HDAC4HDAC1HDAC7
SCHEMBL6080107 0.82 ADORA3 (0.39) ADORA3XDHSLC6A2SLC6A3KMT2A
SCHEMBL6079644 0.81 HDAC3 (0.43) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6591653 0.78 MRGPRX4 (0.46) ADORA3XDHHDAC3HDAC4HDAC1
SCHEMBL6080225 0.77 HDAC3 (0.42) ADORA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6079923 0.76 XDH (0.41) MAPTXDHNPC1RAB9ASMN1; SMN2
SCHEMBL6080222 0.76 HDAC3 (0.59) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6596273 0.75 XDH (0.44) XDHPTGDR2
SCHEMBL6594101 0.72 MCL1 (0.43) XDH
SCHEMBL6598596 0.71 HDAC3 (0.44) MAPTADORA3HDAC3HDAC4HDAC1

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 MAPT 1575/4885ADORA3 1328/4885XDH 128/4885

“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.