SCHEMBL6079834

SCHEMBL6079834

Cc1ccc(N)c2nc(C(=O)O)c(CCc3ccccc3)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.44
RNASEH1 O60930 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
COPS5 Q92905 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
Benzene SCHEMBL6080245 0.85 KDM4E (0.37) P2RX3RNASEH1ALDH1A1MAPT
SCHEMBL6079745 0.79 DUSP3 (0.38)
SCHEMBL6079655 0.79 RNASEH1 (0.43) P2RX3RNASEH1COPS5ALDH1A1
SCHEMBL6079750 0.79 P2RX3 (0.44) P2RX3RNASEH1MEN1KMT2AATP4A
SCHEMBL6080544 0.78 KDM4E (0.34) MEN1KMT2AALDH1A1MAPT
SCHEMBL6080476 0.76 DHODH (0.34) MAPT
SCHEMBL6079276 0.73 P2RX3 (0.40) P2RX3RNASEH1MEN1KMT2ACOPS5
SCHEMBL6081015 0.70 KDM4E (0.42) P2RX3RNASEH1ALDH1A1MAPT
SCHEMBL6080252 0.70 P2RX3 (0.45) P2RX3RNASEH1MEN1KMT2AMCL1
SCHEMBL6079831 0.70 RNASEH1 (0.41) P2RX3RNASEH1TLR7ALDH1A1

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 P2RX3 465/4885RNASEH1 2268/4885MEN1 740/4885

“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.