SCHEMBL6079523

SCHEMBL6079523

Cc1c(C(=O)O)nc2c(OCc3ccccc3)c(Cl)cc(Cl)c2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
RHEB Q15382 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 2/20 0.39
BAK1 Q16611 1/20 0.39
GLRA1 P23415 1/20 0.39
PTPN1 P18031 1/20 0.39
HPD P32754 1/20 0.38
THRB P10828 2/20 0.38
THRA P10827 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
SCHEMBL6080906 0.82 TPMT (0.42) KDM4ELMNAHPGDPKMHTT
SCHEMBL6592534 0.79 MCL1 (0.44) MRGPRX4KDM4ELMNAHPGDRHEB
SCHEMBL6078796 0.77 MAPT (0.41) KDM4ELMNAHPGDPKMHTT
SCHEMBL9452378 0.76 MRGPRX4 (0.49) MRGPRX4KDM4ELMNAHPGDMCL1
SCHEMBL6080445 0.75 MAPT (0.47) MRGPRX4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6080121 0.75 PTPN1 (0.41) KDM4ELMNAHPGDMAPTCYP2C9
SCHEMBL6079519 0.74 LMNA (0.54) KDM4ELMNAHPGDMAPTCYP2C9
SCHEMBL6081286 0.74 CYP2C9 (0.46) MRGPRX4KDM4EMAPTCYP2C9CYP2C19
SCHEMBL6079982 0.74 MAPT (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6080634 0.73 THRB (0.46) KDM4ELMNAHPGDMAPTSMN1; SMN2

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 MRGPRX4 238/4885KDM4E 1006/4885LMNA 2027/4885

“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.