SCHEMBL6080097

SCHEMBL6080097

O=C(O)c1nc2c(OCc3ccccc3)c(C#CCOCc3ccccc3)ccc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP12 P39900 2/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
XDH P47989 2/20 0.31
MCL1 Q07820 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
PTGER1 P34995 1/20 0.31
RHEB Q15382 1/20 0.31

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
SCHEMBL6079841 0.88 MMP2 (0.35) MMP2MMP12EGLN1XDH
SCHEMBL6080114 0.87 FFAR1 (0.38) ALDH1A1EGLN1KDM4EMEN1KMT2A
SCHEMBL6080217 0.86 KDM4E (0.35) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6080053 0.82 MMP2 (0.39) MMP2MMP12ALDH1A1SMN1; SMN2EGLN1
SCHEMBL6079838 0.82 MMP2 (0.31) MMP2MMP12
SCHEMBL6598552 0.80 XDH (0.42) MMP2MMP12ALDH1A1SMN1; SMN2XDH
SCHEMBL6079898 0.79 THRA (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6080645 0.78 P2RY14 (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6079887 0.76 KDM4E (0.37) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6080093 0.75 MMP2 (0.36) MMP2MMP12ALDH1A1SMN1; SMN2EGLN1

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 MMP2 4090/4885MMP12 4456/4885ALDH1A1 2726/4885

“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.