SCHEMBL6081065

SCHEMBL6081065

Nc1cccc2c(-c3ccccc3)cc(C(=O)O)nc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
GRM2 Q14416 3/20 0.48
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FDPS P14324 1/20 0.42
ACACA Q13085 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL6079384 0.85 ALDH1A1 (0.47) MMP2GRM2KDM4ETDP1ACACA
SCHEMBL6052793 0.84 MMP2 (0.53) MMP2GRM2KDM4ETDP1
SCHEMBL6079734 0.84 MMP2 (0.54) MMP2GRM2KDM4ECYP3A4CYP2C8
SCHEMBL6080191 0.83 KDM4E (0.45) MMP2KDM4ETDP1FDPS
SCHEMBL6080058 0.80 KDM4E (0.46) MMP2KDM4ETDP1FDPS
SCHEMBL1811192 0.79 PDE10A (0.61) MMP2GRM2KDM4EACACADHODH
SCHEMBL21144461 0.79 FDPS (0.44) MMP2GRM2KDM4ETDP1FDPS
SCHEMBL6594275 0.78 MEN1 (0.50) MMP2GRM2TDP1
SCHEMBL6594282 0.78 MEN1 (0.50) MMP2GRM2TDP1
SCHEMBL2114841 0.78 GRM2 (0.61) GRM2KDM4EACACA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 MMP2 4090/4885GRM2 3147/4885KDM4E 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.