Sugi Predict

Sugi Predict / Compounds / SCHEMBL2104022

SCHEMBL2104022

SCHEMBL2104022

C/C([C]=O)=C\c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ GRIN2D O15399 2/20 0.40
▸ GRIN3B O60391 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40

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
SCHEMBL2104023 1.00 KDM4E (0.51) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL13938652 0.82 KDM4E (0.48) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL6027912 0.79 KDM4E (0.54) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL28257775 0.77 KDM4E (0.57) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL10501625 0.76 KDM4E (0.53) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL31172233 0.76 KDM4E (0.51) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL628932 0.76 MAPT (0.48) KDM4EMAPTLMNAMAPK1
SCHEMBL1533857 0.76 MAPT (0.48) KDM4EMAPTLMNAMAPK1
SCHEMBL6001348 0.76 KDM4E (0.51) KDM4EMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL36974 0.75 KDM4E (0.68) KDM4EMTNR1AMTNR1BHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 — — US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 — — EP disclosed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 — — US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 — — US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 — — US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 — — EP disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 — — US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 — — US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 — — US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
US-7135493-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-11-14 — — US disclosed
US-20060229236-A1 Cyclic tetrapeptide compound and use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-10-12 — — US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 — — US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 — — WO disclosed
EP-1585735-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Astellas Pharma Inc. (JP) 2005-10-19 — — EP disclosed
US-20040229889-A1 HDAC inhibitor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
EP-1458746-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-22 — — EP disclosed
WO-2004071401-A2 HYDROXAMIC ACID DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS (HDCA) FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 — — WO disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 — — WO disclosed
WO-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 — — 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 (7 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 KDM4E 450/4885MTNR1A 3518/4885MTNR1B 3768/4885
US-20060229236-A1 Cyclic tetrapeptide compound and use thereof NGLY1, CRH, NPY1R KDM4E 4275/4885MTNR1A 2045/4885MTNR1B 1652/4885
US-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 KDM4E 200/4885MTNR1A 1546/4885MTNR1B 1943/4885
US-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 KDM4E 139/4885MTNR1A 2100/4885MTNR1B 2523/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 KDM4E 556/4885MTNR1A 1266/4885MTNR1B 1579/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 KDM4E 195/4885MTNR1A 942/4885MTNR1B 1253/4885
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 253/4885MTNR1A 3357/4885MTNR1B 2990/4885

“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.