Sugi Predict

Sugi Predict / Compounds / SCHEMBL2106557

SCHEMBL2106557

SCHEMBL2106557

O=[C]C=CCCCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ACP3 P15309 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL144065 0.90 MTNR1A (0.43) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL144066 0.81 MTNR1A (0.44) MTNR1ANQO2GPR84MCL1TDP1
SCHEMBL145560 0.80 TDP1 (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7654681 0.79 GPR84 (0.43) MTNR1ANQO2GPR84MCL1TDP1
SCHEMBL7654677 0.79 GPR84 (0.43) MTNR1ANQO2GPR84MCL1TDP1
SCHEMBL30424192 0.79 SIGMAR1 (0.48) MTNR1ANQO2GPR84CYP1A2CYP2C19
SCHEMBL143128 0.78 MTNR1A (0.47) MTNR1ANQO2GPR84MCL1TDP1
SCHEMBL9216856 0.78 CYP1A2 (0.48) MTNR1ANQO2GPR84MCL1TDP1
SCHEMBL16289223 0.77 TDP1 (0.50) MTNR1AMCL1TDP1CYP1A2
SCHEMBL5830948 0.75 GPR84 (0.59) MTNR1ANQO2GPR84MCL1TDP1

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 27 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-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-2004072047-A1 INDOLES, BENZIMIDAZOLES OR NAPHHIMIDAZOLES AS HISTONE DEACETYLASE (HDAC) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-26 — — WO 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 MTNR1A 3518/4885NQO2 287/4885GPR84 2730/4885
US-20060229236-A1 Cyclic tetrapeptide compound and use thereof NGLY1, CRH, NPY1R MTNR1A 2045/4885NQO2 3390/4885GPR84 1970/4885
US-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 MTNR1A 1546/4885NQO2 1995/4885GPR84 913/4885
US-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 MTNR1A 2100/4885NQO2 1495/4885GPR84 4193/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 MTNR1A 1266/4885NQO2 1423/4885GPR84 3041/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 MTNR1A 942/4885NQO2 1505/4885GPR84 1271/4885
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 MTNR1A 3357/4885NQO2 857/4885GPR84 1392/4885

“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.