SCHEMBL6081004

SCHEMBL6081004

O=C(O)c1nc2c(OCc3ccccc3)cc(C3CCCCN3)cc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SGMS2 Q8NHU3 1/20 0.33
PRMT5 O14744 1/20 0.33
LTA4H P09960 2/20 0.33
PTGER1 P34995 2/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
RORC P51449 1/20 0.33
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL6596294 0.85 PTGER1 (0.39) ALDH1A1MEN1KMT2ASGMS2PRMT5
SCHEMBL6081001 0.79 MEN1 (0.36) ALDH1A1MEN1KMT2ASGMS2PTGER1
SCHEMBL6080659 0.77 PTGER1 (0.44) PTGER1
SCHEMBL6079943 0.74 PTGER1 (0.41) PTGER1
SCHEMBL6080002 0.74 MAP4K4 (0.43) PTGER1
SCHEMBL6079219 0.74 ERN1 (0.48) ALDH1A1PTGER1SRD5A2
SCHEMBL6080257 0.73 PTGER1 (0.41) MEN1KMT2APTGER1
SCHEMBL6080066 0.72 PTGER1 (0.43) PTGER1
SCHEMBL6080053 0.71 MMP2 (0.39) ALDH1A1MEN1KMT2APTGER1SRD5A2
SCHEMBL6080030 0.68 PTGER1 (0.41) ALDH1A1PTGER1KDM4E

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 2726/4885MEN1 740/4885KMT2A 1384/4885

“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.