SCHEMBL6081001

SCHEMBL6081001

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cc(C3CCCCN3)cc(OCc3ccccc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
ADAM17 P78536 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
MAPK10 P53779 1/20 0.34
PTGER1 P34995 1/20 0.34
CSF1R P07333 1/20 0.34

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 0.92 PTGER1 (0.39) MEN1ALDH1A1KMT2ASGMS2ADAM17
SCHEMBL6081004 0.79 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ASGMS2KCNH2
SCHEMBL6080651 0.77 PTGER1 (0.42) KMT2ATSHRGABRA1GABRG2GABRB3
SCHEMBL6079939 0.73 DHODH (0.41) PTGER1
SCHEMBL6079213 0.73 ERN1 (0.48) MEN1ALDH1A1KMT2ATSHRPTGER1
SCHEMBL6079994 0.73 DHODH (0.46) KMT2APTGER1
SCHEMBL6080254 0.72 PTGER1 (0.41) MEN1KMT2APTGER1
SCHEMBL2906705 0.72 MAPT (0.49) MEN1ALDH1A1KMT2AGAAADAM17
SCHEMBL6080274 0.71 PTGER1 (0.43) PTGER1
SCHEMBL6080025 0.71 MRGPRX4 (0.42) MEN1ALDH1A1KMT2AGAATSHR

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 MEN1 740/4885ALDH1A1 2726/4885KMT2A 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.