SCHEMBL1727510

SCHEMBL1727510

N/C(=N\C(=O)OCc1ccccc1)c1ccc(CCc2coc3cccc(O)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 4/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ DAO P14920 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MBOAT4 Q96T53 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL1727511 1.00 HTR2B (0.36) HTR2BHTR3ADAOPTGESPTGS2
SCHEMBL1726926 0.85 LMNA (0.51) HTR2BHTR3ADAOLMNATDP1
SCHEMBL1726720 0.81 TDP1 (0.45) HTR2BHTR3ADAOTDP1CASP1
SCHEMBL1728495 0.80 SLC5A2 (0.43) MAOB
SCHEMBL1728497 0.80 SLC5A2 (0.43) MAOB
SCHEMBL1726895 0.79 AR (0.45) HTR2BHTR3ADAOMBOAT4MAOB
SCHEMBL1727425 0.78 MBOAT4 (0.49) HTR2BHTR3ADAOMBOAT4MAOB
SCHEMBL1727808 0.77 HTR2B (0.51) HTR2BHTR3ADAOLMNAMAOB
SCHEMBL1728161 0.76 CYP2D6 (0.41) LMNAKMT2AALDH1A1MEN1
SCHEMBL1728159 0.76 CYP2D6 (0.41) LMNAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 — — EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 — — EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 — — 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 HTR2B 1490/4885HTR3A 643/4885DAO 1294/4885

“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.

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