SCHEMBL6080313

SCHEMBL6080313

Cc1c(C(=O)O)nc2c(N)cccc2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPN1 P18031 1/20 0.40
PTGER1 P34995 1/20 0.39
FDPS P14324 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL6079907 0.86 PTGER1 (0.43) TSHRALDH1A1KDM4EPTPN1PTGER1
SCHEMBL6080784 0.85 KDM4E (0.40) TSHRALDH1A1KDM4EFDPSMAPT
SCHEMBL6080654 0.84 LTB4R (0.41) TSHRALDH1A1KDM4EPTPN1PTGER1
SCHEMBL6079317 0.81 LTB4R (0.39) TSHRALDH1A1KDM4EPTPN1PTGER1
SCHEMBL6079768 0.81 ALDH1A1 (0.38) TSHRALDH1A1KDM4EPTPN1PTGER1
SCHEMBL6081092 0.81 LTB4R (0.41) ALDH1A1KDM4EPTPN1PTGER1EDNRA
SCHEMBL6081248 0.81 THRA (0.41) ALDH1A1KDM4EPTPN1PTGER1MAPT
SCHEMBL6080186 0.79 ALDH1A1 (0.40) TSHRALDH1A1KDM4EMAPTTDP1
SCHEMBL6080132 0.79 HRH4 (0.46) TSHRALDH1A1MAPK1HSD17B10
SCHEMBL6079276 0.78 P2RX3 (0.40) ALDH1A1KDM4ETDP1HSD17B10ADORA2A

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 1 patent. 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 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 TSHR 4728/4885ALDH1A1 2726/4885KDM4E 1006/4885

“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.