SCHEMBL6079991

SCHEMBL6079991

Cc1c(C(=O)O)nc2c(CCc3ccccc3)cccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.47
RNASEH1 O60930 2/20 0.43
PLAUR Q03405 1/20 0.41
COPS5 Q92905 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
BID P55957 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAK1 Q16611 1/20 0.37
SOX18 P35713 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL6080384 0.78 KDM4E (0.46) P2RX3KDM4EALDH1A1KMT2A
SCHEMBL6080252 0.78 P2RX3 (0.45) P2RX3RNASEH1KDM4EALDH1A1KMT2A
SCHEMBL6080351 0.78 MAPT (0.49)
SCHEMBL6080710 0.78 CD38 (0.49) RNASEH1KDM4E
SCHEMBL6080440 0.77 P2RX3 (0.44) P2RX3RNASEH1KDM4EALDH1A1BID
SCHEMBL6079750 0.77 P2RX3 (0.44) P2RX3RNASEH1KDM4EALDH1A1KMT2A
SCHEMBL6080782 0.76 DHODH (0.50) RNASEH1PLAURKDM4EALDH1A1KMT2A
SCHEMBL6080655 0.76 ALOX5 (0.50) P2RX3RNASEH1KDM4E
SCHEMBL6080236 0.75 AURKA (0.41) P2RX3ALDH1A1
SCHEMBL6080402 0.75 PARP1 (0.44) P2RX3COPS5KDM4EALDH1A1

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 2268/4885PLAUR 4883/4885

“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.