Sugi Predict

Sugi Predict / Compounds / SCHEMBL140399

SCHEMBL140399

SCHEMBL140399

O=C(O)[C@H]1CSC(c2ccc3cc(Oc4ccc([N+](=O)[O-])cc4)ccc3n2)=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ CHEK2 O96017 3/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ EIF4A1 P60842 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIN1 Q13526 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL139847 0.88 HDAC1 (0.37) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL12957844 0.88 GPR35 (0.44) HDAC8HDAC6GPR35KMT2AMAPT
SCHEMBL203545 0.86 CYP1A2 (0.36) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL21017384 0.86 CYP1A2 (0.36) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL139841 0.85 GPR35 (0.38) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL138981 0.85 ESRRA (0.38) HDAC1HDAC8HDAC6GPR35
SCHEMBL21016728 0.85 ESRRA (0.38) HDAC1HDAC8HDAC6GPR35
SCHEMBL19393222 0.83 MAPT (0.41) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL137676 0.83 MAPT (0.41) HDAC1HDAC8HDAC6KDM4EGPR35
SCHEMBL12940612 0.83 KDM4E (0.37) KDM4EGPR35MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889849-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2021-01-12 — — US disclosed
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 — — US disclosed
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-01-31 — — US disclosed
US-20180030503-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-02-01 — — US disclosed
US-20180030503-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-02-01 — — US disclosed
US-9816127-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2017-11-14 — — US disclosed
US-9816127-B2 Oxidized glutathione assay PROMEGA CORPORATION (US) 2017-11-14 — — US disclosed
EP-2778234-B1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORP (US) 2017-09-27 — — EP disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 — — US disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 — — US disclosed
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 — — US disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 — — US disclosed
US-7951550-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2011-05-31 — — US disclosed
EP-2277872-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-26 — — EP disclosed
EP-2272973-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 — — EP disclosed
EP-2272972-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions Promega Corporation (US) 2011-01-12 — — EP disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 — — US disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 — — US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 — — US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 — — US 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 (5 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-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD HDAC1 4677/4885HDAC8 4764/4885HDAC6 3989/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD HDAC1 4677/4885HDAC8 4764/4885HDAC6 3989/4885
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD HDAC1 4677/4885HDAC8 4764/4885HDAC6 3989/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD HDAC1 4701/4885HDAC8 4772/4885HDAC6 4026/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD HDAC1 4546/4885HDAC8 4595/4885HDAC6 4176/4885

“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.