Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833864

SCHEMBL4833864

SCHEMBL4833864

COc1ccc(OC)c(C(=O)N(C)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ CLK1 P49759 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ TUBB1 Q9H4B7 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ JUN P05412 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
SCHEMBL4841763 0.87 NPC1 (0.57) MAPTHTTABCG2ALDH1A1CLK1
SCHEMBL7511970 0.86 MAPT (0.62) MAPTNPSR1HTTABCG2ALDH1A1
SCHEMBL8569451 0.85 KDM4E (0.49) MAPTNPSR1HTTALDH1A1POLB
SCHEMBL4109938 0.85 MAPT (0.53) MAPTNPSR1HTTABCG2ALDH1A1
SCHEMBL8577030 0.85 ACHE (0.47) MAPTNPSR1HTTABCG2ALDH1A1
SCHEMBL4093630 0.83 CLK1 (0.52) MAPTHTTALDH1A1CLK1DYRK1A
SCHEMBL12094656 0.82 CLK1 (0.51) MAPTNPSR1HTTABCG2CLK1
SCHEMBL3469683 0.82 CLK1 (0.55) MAPTNPSR1HTTABCG2ALDH1A1
SCHEMBL9278526 0.82 CLK1 (0.51) MAPTNPSR1HTTABCG2CLK1
SCHEMBL5623892 0.82 TSHR (0.57) MAPTNPSR1HTTALDH1A1POLB

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010501-B1 ESTROGEN RECEPTOR MODULATOR AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2021-11-03 — — EP disclosed
EP-3010501-B1 ESTROGEN RECEPTOR MODULATOR AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2021-11-03 — — EP disclosed
EP-2791133-B1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2019-04-17 — — EP disclosed
EP-2791133-B1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2019-04-17 — — EP disclosed
US-10227334-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2019-03-12 — — US disclosed
US-10227334-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2019-03-12 — — US disclosed
US-9873684-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873684-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873684-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170275273-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 — — US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 — — US disclosed
US-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 — — US disclosed
EP-2580210-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-04-17 — — EP disclosed
WO-2011156518-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-12-15 — — WO disclosed
WO-2011156518-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2011-12-15 — — WO disclosed
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 — — US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 — — EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 — — US disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 — — US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 — — 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 (4 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-20130116232-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAPT 3693/4885NPSR1 178/4885HTT 4602/4885
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 MAPT 459/4885NPSR1 255/4885HTT 743/4885
US-20170275273-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 MAPT 3601/4885NPSR1 173/4885HTT 4589/4885
US-10227334-B2 Estrogen receptor modulators and uses thereof ESR2, ESRRG, GPER1 MAPT 3601/4885NPSR1 173/4885HTT 4589/4885

“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.