SCHEMBL7069288

SCHEMBL7069288

COc1ccc2ncc(COc3ccccc3CC(C(C)=O)C(N)=O)c(OC(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
PLA2G10 O15496 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLK1 P53350 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLA2G2A P14555 6/20 0.35
SGMS2 Q8NHU3 1/20 0.35
SLC16A3 O15427 1/20 0.35

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
SCHEMBL7066027 0.95 MAPT (0.41) ICAM1SELEVCAM1MTNR1AMTNR1B
SCHEMBL7066492 0.93 MAPT (0.38) MTNR1AMTNR1BPLA2G10MAPTTHRB
SCHEMBL7070063 0.91 MAPT (0.40) ICAM1SELEMTNR1AMTNR1BMAPT
SCHEMBL7598993 0.90 MAPT (0.39) ICAM1SELEVCAM1MTNR1AMTNR1B
SCHEMBL7070400 0.90 MAPT (0.43) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7597575 0.89 MAPT (0.39) ICAM1SELEVCAM1PLA2G10MAPT
SCHEMBL7069471 0.88 MAPT (0.40) ICAM1SELEVCAM1MTNR1AMTNR1B
SCHEMBL7069283 0.87 ICAM1 (0.39) ICAM1SELEVCAM1MTNR1AMTNR1B
SCHEMBL7067964 0.86 MAPT (0.39) ICAM1SELEVCAM1MTNR1AMTNR1B
SCHEMBL7069540 0.86 MAPT (0.39) MTNR1AMTNR1BPLA2G10MAPTTHRB

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 EP 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA ICAM1 4147/4885SELE 4747/4885VCAM1 2399/4885

“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.