SCHEMBL6079384

SCHEMBL6079384

COC(=O)c1cc(-c2ccccc2)c2cccc(N)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
GRM2 Q14416 2/20 0.43
NQO2 P16083 1/20 0.43
MMP2 P08253 1/20 0.43
ACACA Q13085 2/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE5A O76074 1/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PRKCZ Q05513 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6081065 0.85 MMP2 (0.53) KDM4EGRM2MMP2ACACATDP1
SCHEMBL6079947 0.85 ACACA (0.55) ALDH1A1KDM4EGRM2MMP2ACACA
SCHEMBL6079787 0.84 NQO2 (0.49) ALDH1A1KDM4EMAPTPKMNQO2
SCHEMBL6080401 0.81 NQO2 (0.47) ALDH1A1KDM4EMAPTPKMNQO2
SCHEMBL13188224 0.81 GRM2 (0.55) ALDH1A1KDM4EGRM2ACACA
SCHEMBL6080149 0.81 APP (0.48) ALDH1A1KDM4EMAPTGRM2MMP2
SCHEMBL12112667 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EGRM2ACACAMEN1
SCHEMBL6080286 0.79 NQO2 (0.45) ALDH1A1KDM4EMAPTPKMNQO2
SCHEMBL6079273 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTPKMNQO2
SCHEMBL6080487 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTPKMNQO2

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 ALDH1A1 2726/4885KDM4E 1006/4885MAPT 1575/4885

“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.