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Sugi Predict / Compounds / SCHEMBL3764722

SCHEMBL3764722

SCHEMBL3764722

CN(Cc1ccccc1)C(=O)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ FOLH1 Q04609 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LTB4R Q15722 1/20 0.49
▸ LTB4R2 Q9NPC1 1/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ ABCC1 P33527 1/20 0.48
▸ MCL1 Q07820 1/20 0.47

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
SCHEMBL3768292 0.90 FOLH1 (0.51) FOLH1ALDH1A1LTB4RLTB4R2MCL1
SCHEMBL3769865 0.87 LTB4R (0.53) FOLH1ALDH1A1LTB4RLTB4R2MCL1
SCHEMBL6968160 0.86 TSHR (0.48) FOLH1GAAALDH1A1LTB4RLTB4R2
SCHEMBL3239000 0.85 LTB4R (0.51) HPGDKMT2AFOLH1MEN1GAA
SCHEMBL14991133 0.84 KMT2A (0.46) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL8775174 0.83 KMT2A (0.61) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL30277736 0.82 HSP90AA1 (0.60) KMT2ALTB4RLTB4R2HSP90AA1MAPT
SCHEMBL14991150 0.82 KMT2A (0.44) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL14857067 0.81 KMT2A (0.44) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL19326705 0.80 MAOB (0.60) KMT2AFOLH1MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 — — EP disclosed
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 — — EP disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 — — US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 — — US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 — — US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 — — US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 — — US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 — — US disclosed
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 — — 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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P HPGD 811/4885KMT2A 4050/4885FOLH1 4204/4885

“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.