Sugi Predict

Sugi Predict / Compounds / SCHEMBL139847

SCHEMBL139847

SCHEMBL139847

Cc1cc([N+](=O)[O-])ccc1Oc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ EIF4A1 P60842 3/20 0.34
▸ TTR P02766 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL140399 0.88 HDAC1 (0.48) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL203545 0.87 CYP1A2 (0.36) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL21017384 0.87 CYP1A2 (0.36) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL12940612 0.86 KDM4E (0.37) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL139841 0.83 GPR35 (0.38) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL137676 0.83 MAPT (0.41) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL19393222 0.83 MAPT (0.41) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL138982 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL140404 0.81 ALDH1A1 (0.39) HDAC1HDAC8HDAC6GPR35ALDH1A1
SCHEMBL15763786 0.81 GPR35 (0.35) HDAC1HDAC8HDAC6GPR35ALDH1A1

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
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-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-20140154716-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION 2014-06-05 — — US disclosed
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 — — 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 (2 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-20140154716-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

“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.