SCHEMBL6080445

SCHEMBL6080445

Cc1c(C(=O)O)nc2c(OCc3ccccc3)ccc(Br)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER1 P34995 6/20 0.44
FOLH1 Q04609 1/20 0.43
EDNRA P25101 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.39
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
SCHEMBL6079982 0.85 MAPT (0.46) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6081286 0.85 CYP2C9 (0.46) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6080263 0.84 RXRA (0.45) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6080525 0.82 PTGER1 (0.46) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6081119 0.82 RNASEH1 (0.44) MAPTTDP1L3MBTL1CYP2C19SMN1; SMN2
SCHEMBL6080351 0.80 MAPT (0.49) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6080121 0.80 PTPN1 (0.41) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6080513 0.79 PTGER1 (0.50) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6594874 0.77 FOLH1 (0.47) L3MBTL1PTGER1FOLH1CYP1A2POLB
SCHEMBL6080809 0.76 EPRS1 (0.36) MAPTTDP1CYP2C9CYP2C19CYP1A2

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 MAPT 1575/4885TDP1 2264/4885L3MBTL1 4069/4885

“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.