Sugi Predict

Sugi Predict / Compounds / SCHEMBL2198346

SCHEMBL2198346

SCHEMBL2198346

Cc1cc(Br)ccc1Nc1ccc(C(=O)c2ccc(OCCOC3CCCCO3)cc2C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 9/20 0.45
▸ MAPK12 P53778 9/20 0.45
▸ MAPK11 Q15759 9/20 0.45
▸ MAPK14 Q16539 9/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ P2RX3 P56373 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ EPHA2 P29317 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CREBBP Q92793 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
SCHEMBL12424062 0.93 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12424162 0.91 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2200151 0.89 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2199324 0.89 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196202 0.89 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198441 0.89 MAPK1 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196282 0.89 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2197456 0.88 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198452 0.87 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196352 0.86 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528597-A — — 2006-12-21 — — JP claimed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 — — US claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 — — EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 — — WO claimed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 — — US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 — — US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 — — US disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 — — US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 — — EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 — — WO 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 MAPK13 1063/4885MAPK12 955/4885MAPK11 612/4885

“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.