SCHEMBL7069283

SCHEMBL7069283

COc1ccc2ncc(COc3ccc(CC(C(C)=O)C(N)=O)cc3)c(OC(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.39
SELE P16581 2/20 0.39
VCAM1 P19320 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PPARG P37231 3/20 0.36
EDNRA P25101 1/20 0.36
LDHA P00338 1/20 0.36
MAOB P27338 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARD Q03181 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
SCHEMBL7066025 0.94 MAPT (0.40) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7066480 0.93 LDHA (0.42) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7070060 0.91 MAPT (0.40) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7070398 0.89 MAPT (0.42) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1
SCHEMBL7066779 0.89 ICAM1 (0.39) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7071902 0.88 PPARG (0.43) ICAM1SELEVCAM1KDM4EMAPT
Hydrochloric Acid SCHEMBL7066556 0.87 PPARG (0.42) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7069467 0.87 MAPT (0.39) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7069288 0.87 ICAM1 (0.38) ICAM1SELEVCAM1KDM4EMAPT
SCHEMBL7070604 0.86 MAPT (0.44) KDM4EMAPTTHRBSMN1; SMN2ALDH1A1

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.