SCHEMBL6080945

SCHEMBL6080945

Nc1c(I)ccc2c(OCc3ccccc3)c(Cc3ccccc3)c(C(=O)O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CDK2 P24941 2/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
P4HTM Q9NXG6 1/20 0.33
MCL1 Q07820 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
PNP P00491 2/20 0.33

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
SCHEMBL6080199 0.86 P2RY14 (0.41) KDM4EALDH1A1CDK1CCNB1CDK2
SCHEMBL6080784 0.83 KDM4E (0.40) KDM4EALDH1A1CDK1CCNB1CDK2
SCHEMBL6079898 0.81 THRA (0.41) KDM4EALDH1A1CDK1CCNB1CDK2
SCHEMBL6080645 0.80 P2RY14 (0.43) KDM4EALDH1A1CDK1CCNB1CDK2
SCHEMBL6080030 0.79 PTGER1 (0.41) KDM4EALDH1A1MCL1NR4A2
SCHEMBL6081088 0.78 RXRA (0.41) KDM4EALDH1A1MCL1P2RY14
SCHEMBL6080114 0.77 FFAR1 (0.38) KDM4EALDH1A1CDK1CCNB1CDK2
SCHEMBL6594274 0.76 MCL1 (0.42) P4HTMMCL1MAP4K4FFAR1
SCHEMBL6079959 0.75 PIN1 (0.41) KDM4EALDH1A1MGMTMEN1KMT2A
SCHEMBL6080097 0.74 MMP2 (0.37) KDM4EALDH1A1CDK1CCNB1CDK2

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 KDM4E 1006/4885ALDH1A1 2726/4885CDK1 2036/4885

“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.