SCHEMBL6079907

SCHEMBL6079907

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.43
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PTPN1 P18031 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
EDNRA P25101 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6081248 0.88 THRA (0.41) PTGER1THRATHRBALDH1A1KDM4E
SCHEMBL6080313 0.86 TSHR (0.41) PTGER1ALDH1A1KDM4EPTPN1MAPT
SCHEMBL6080030 0.85 PTGER1 (0.41) PTGER1THRATHRBALDH1A1KDM4E
SCHEMBL6080654 0.84 LTB4R (0.41) PTGER1ALDH1A1KDM4EPTPN1MAPT
SCHEMBL6081092 0.81 LTB4R (0.41) PTGER1ALDH1A1KDM4EPTPN1EDNRA
SCHEMBL6079317 0.81 LTB4R (0.39) PTGER1ALDH1A1KDM4EPTPN1MAPT
SCHEMBL6079768 0.81 ALDH1A1 (0.38) PTGER1ALDH1A1KDM4EPTPN1MAPT
SCHEMBL6080359 0.79 BACE1 (0.47)
SCHEMBL6080121 0.79 PTPN1 (0.41) PTGER1THRATHRBALDH1A1KDM4E
SCHEMBL6080186 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTDP1USP2

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 PTGER1 1819/4885THRA 4854/4885THRB 4839/4885

“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.