SCHEMBL6079485

SCHEMBL6079485

COC(=O)c1cc(OCc2ccccc2)c2cc(C#Cc3ccccc3)cc(C#N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PPIA P62937 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL6592610 0.90 XDH (0.49) XDH
SCHEMBL6079938 0.86 XDH (0.43) XDHALDH1A1KDM4EHPGDCRHBP
SCHEMBL6079765 0.85 NOTUM (0.41) ALDH1A1HPGDTDP1MRGPRX4PPIA
SCHEMBL6080661 0.83 APP (0.43) ALDH1A1
SCHEMBL6080214 0.79 APP (0.43) ALDH1A1HPGDMRGPRX4
SCHEMBL6080225 0.79 HDAC3 (0.42) ALDH1A1HPGDMRGPRX4PPIANOTUM
SCHEMBL6079883 0.79 MMP2 (0.41) ALDH1A1KDM4EHPGDPPIANOTUM
SCHEMBL6080358 0.77 CYP11B1 (0.43) ALDH1A1
SCHEMBL6079492 0.76 XDH (0.41) XDHMRGPRX4
SCHEMBL6592622 0.76 XDH (0.51) XDH

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 XDH 128/4885ALDH1A1 2726/4885KDM4E 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.