Sugi Predict

Sugi Predict / Compounds / SCHEMBL1832812

SCHEMBL1832812

SCHEMBL1832812

O=C1c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.60
▸ CA1 P00915 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ CA2 P00918 2/20 0.60
▸ SCN2A Q99250 1/20 0.58
▸ APP P05067 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ SNCA P37840 3/20 0.56
▸ CASP3 P42574 3/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP4 P49662 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP9 P55211 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CASP8 Q14790 1/20 0.56
▸ P2RX4 Q99571 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ MDM2 Q00987 1/20 0.53
▸ GFER P55789 1/20 0.52

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
SCHEMBL6841652 0.85 ALDH1A1 (0.57) CA12CA1CA9CA2SCN2A
SCHEMBL21176664 0.84 CA12 (0.70) CA12CA1CA9CA2CASP3
SCHEMBL29531485 0.84 CA1 (0.62) CA12CA1CA9CA2SCN2A
SCHEMBL17550101 0.84 CA1 (0.62) CA12CA1CA9CA2SCN2A
SCHEMBL18954667 0.83 ALDH1A1 (0.74) CA12CA1CA9CA2APP
SCHEMBL2567466 0.83 ALDH1A1 (0.55) CA12CA1CA9CA2SCN2A
SCHEMBL2049541 0.83 ALDH1A1 (0.73) CA12CA1CA9CA2SCN2A
SCHEMBL31687464 0.83 ALDH1A1 (0.73) CA12CA1CA9CA2SCN2A
SCHEMBL17260671 0.80 TDP1 (0.66) CA12CA1CA9CA2SCN2A
Hydrochloric Acid SCHEMBL10924380 0.80 RAB9A (0.50) CA12CA1CA9CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349233-B 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-06-01 — — CN disclosed
CN-106344552-B Novel sulfonamide compound, preparation method and application of sulfonamide compound as protein tyrosine phosphatase1B inhibitor 齐鲁工业大学 2021-04-30 — — CN disclosed
US-10611745-B2 Process for preparing 5-phenoxy-1(3)isobenzofuranone KINGCHEM LIFE SCIENCE LLC (US) 2020-04-07 — — US disclosed
US-20190225591-A1 PROCESS FOR PREPARING 5-PHENOXY-1(3)ISOBENZOFURANONE KINGCHEM LIFE SCIENCE LLC 2019-07-25 — — US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 — — WO disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 (6 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CA12 4804/4885CA1 4719/4885CA9 4069/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CA12 4664/4885CA1 4816/4885CA9 4213/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 CA12 4714/4885CA1 4763/4885CA9 4145/4885
US-20190225591-A1 PROCESS FOR PREPARING 5-PHENOXY-1(3)ISOBENZOFURANONE PPOX, KCNA5, KCNH2 CA12 2588/4885CA1 1323/4885CA9 1151/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 CA12 3989/4885CA1 3012/4885CA9 1133/4885
US-10611745-B2 Process for preparing 5-phenoxy-1(3)isobenzofuranone PPOX, KCNA5, KCNH2 CA12 2588/4885CA1 1323/4885CA9 1151/4885

“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.