SCHEMBL6079768

SCHEMBL6079768

Cc1c(C(=O)O)nc2c(C#Cc3ccccc3)cccc2c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 3/20 0.37
ACACB O00763 2/20 0.37
PTPN1 P18031 2/20 0.37
PLAUR Q03405 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
PTGER1 P34995 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
EDNRA P25101 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35

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
SCHEMBL6079492 0.84 XDH (0.41) ADORA3
SCHEMBL6593140 0.81 XDH (0.38) ALDH1A1KDM4EFFAR1PTPN1ADORA3
SCHEMBL6079907 0.81 PTGER1 (0.43) ALDH1A1KDM4EPTPN1PTGER1EDNRA
SCHEMBL6080313 0.81 TSHR (0.41) ALDH1A1KDM4EPTPN1ADORA3PTGER1
SCHEMBL6080654 0.79 LTB4R (0.41) ALDH1A1KDM4EPTPN1PTGER1EDNRA
SCHEMBL6080232 0.79 PTGER1 (0.43) ADORA3PTGER1EDNRAMAPTTDP1
SCHEMBL6594101 0.78 MCL1 (0.43) PLAURPTGER1MCL1
SCHEMBL6080666 0.78 MEN1 (0.39) MAPT
SCHEMBL6080726 0.77 KMT2A (0.41) ALDH1A1EDNRAMAPT
SCHEMBL6081092 0.77 LTB4R (0.41) ALDH1A1KDM4EPTPN1PTGER1EDNRA

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 ALDH1A1 2726/4885KDM4E 1006/4885FFAR1 4189/4885

“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.