SCHEMBL6080296

SCHEMBL6080296

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1C#CCCCOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
EDNRA P25101 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.37
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
FOLH1 Q04609 1/20 0.35
SRD5A2 P31213 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR3A P46098 1/20 0.34
SRD5A1 P18405 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
SCHEMBL6080272 0.91 PTGER1 (0.40) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6079792 0.89 PTGER1 (0.41) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6080232 0.83 PTGER1 (0.43) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6080428 0.79 BCHE (0.38) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6591127 0.79 MRGPRX4 (0.40) PTGER1ADORA1ADORA3ADORA2AMRGPRX4
SCHEMBL6080351 0.77 MAPT (0.49) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6080293 0.76 CTSL (0.39) MAPTADORA1ADORA3ADORA2AMRGPRX4
SCHEMBL6080005 0.76 MAPT (0.48) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6080599 0.73 ADORA1 (0.46) PTGER1EDNRATDP1MAPTMAPK1
SCHEMBL6080643 0.73 KMT2A (0.38) TDP1MAPK1L3MBTL1

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 PTGER1 1819/4885EDNRA 4656/4885TDP1 2264/4885

“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.