SCHEMBL6080868

SCHEMBL6080868

Cc1c(C(=O)O)nc2c(O)cc(CCCO)cc2c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARA Q07869 1/20 0.32
SELP P16109 2/20 0.32
SELE P16581 2/20 0.32
P2RX3 P56373 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
PIM1 P11309 1/20 0.30
DHODH Q02127 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SELL P14151 1/20 0.30

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
SCHEMBL6081075 0.80 RNASEH1 (0.44) P2RX3
SCHEMBL6080526 0.76 IGFBP5 (0.37) TNKS2RAB9APPARAPIM1KDM4E
SCHEMBL6080119 0.75 DHODH (0.39) RAB9ANPC1HPGDHTTNPSR1
SCHEMBL6079763 0.74 PPARA (0.49) PPARA
SCHEMBL6080558 0.73 KDM4E (0.40) TNKS2RAB9APPARAP2RX3KDM4E
SCHEMBL6081017 0.72 GPR35 (0.39) TNKS2RAB9ANPC1PPARAP2RX3
SCHEMBL6080252 0.72 P2RX3 (0.45) HPGDP2RX3KDM4E
SCHEMBL6080655 0.71 ALOX5 (0.50) PPARAP2RX3KDM4EMAPT
SCHEMBL6080506 0.70 P2RX3 (0.43) RAB9AHPGDHTTP2RX3KDM4E
SCHEMBL6080865 0.69 CYP4A11 (0.43) TNKS2NPC1CYP4F2CYP4A11PIM1

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 TNKS2 1619/4885RAB9A 431/4885NPC1 1911/4885

“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.