Sugi Predict

Sugi Predict / Compounds / SCHEMBL977650

SCHEMBL977650

SCHEMBL977650

O=C(NO)c1ccccc1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.57
▸ MPO P05164 2/20 0.57
▸ TSHR P16473 2/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HDAC8 Q9BY41 6/20 0.50
▸ HDAC6 Q9UBN7 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC1 Q13547 2/20 0.49
▸ CYP1A2 P05177 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
SCHEMBL3109472 0.85 CAPN1 (0.57) CAPN1TSHRCA1CA2GAA
SCHEMBL974386 0.84 ALDH1A1 (0.71) MPOTSHRGAAL3MBTL1LMNA
SCHEMBL5364748 0.82 HPGD (0.78) CAPN1CA1CA2GAAL3MBTL1
SCHEMBL8971238 0.82 ALDH1A1 (0.73) CAPN1LMNAHPGDALDH1A1MEN1
SCHEMBL8673182 0.81 CAPN1 (0.61) CAPN1TSHRCA1CA2GAA
SCHEMBL1247034 0.80 TSHR (0.61) CAPN1TSHRCA1CA2L3MBTL1
SCHEMBL23003 0.80 TSHR (0.79) CAPN1TSHRCA1CA2ALDH1A1
SCHEMBL11545937 0.80 CAPN1 (0.52) CAPN1TSHRCA1CA2GAA
SCHEMBL28903966 0.80 CAPN1 (0.52) CAPN1TSHRCA1CA2GAA
SCHEMBL1098843 0.79 GAA (0.62) MPOCA1GAAL3MBTL1LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US claimed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 — — CN claimed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 — — EP claimed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — WO claimed
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME INSTITUTE FOR BASIC SCIENCE (KR) 2022-06-02 — — US disclosed
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 — — US disclosed
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-10-22 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 — — US disclosed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 — — CN disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 — — EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — 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 (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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CAPN1 539/4885MPO 241/4885TSHR 2697/4885
US-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 CAPN1 985/4885MPO 814/4885TSHR 4456/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CAPN1 539/4885MPO 241/4885TSHR 2697/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 CAPN1 1325/4885MPO 636/4885TSHR 4453/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 CAPN1 985/4885MPO 814/4885TSHR 4456/4885

“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.