Sugi Predict

Sugi Predict / Compounds / SCHEMBL654558

SCHEMBL654558

SCHEMBL654558

O=C(O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.67
▸ MAOB P27338 2/20 0.67
▸ POLB P06746 1/20 0.61
▸ CA12 O43570 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ PIM1 P11309 4/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ PIM2 Q9P1W9 1/20 0.53
▸ F12 P00748 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.49
▸ CSNK2B P67870 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ CSNK2A3 Q8NEV1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL30100149 1.00 MAOA (0.67) MAOAMAOBPOLBCA12CA9
SCHEMBL27631823 0.89 MAOB (0.55) MAOAMAOBPOLBCA12CA9
SCHEMBL1091343 0.87 MAOA (0.51) MAOAMAOBPOLBPIM1MEN1
SCHEMBL4001852 0.87 POLB (0.69) MAOAMAOBPOLBCA12CA9
SCHEMBL5677316 0.86 FLT3 (0.54) MAOAMAOBPOLBCA12CA9
SCHEMBL3488219 0.86 CA12 (0.68) MAOAMAOBPOLBCA12CA9
Hydrochloric Acid SCHEMBL7803214 0.86 POLB (0.68) MAOAMAOBPOLBCA12CA9
SCHEMBL31290976 0.86 CA12 (0.68) MAOAMAOBPOLBCA12CA9
SCHEMBL3609153 0.86 POLB (0.59) MAOAMAOBPOLBCA12CA9
SCHEMBL14036477 0.85 PIM1 (0.58) MAOAMAOBPOLBCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 — — CN claimed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN claimed
WO-2013175499-A2 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3- YL)BUTYL]PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE CADILA HEALTHCARE LIMITED (IN) 2013-11-28 — — WO claimed
CN-103304527-A Novel preparation method of 5-nitrobenzofuran-2-formic acid WUXI WANQUAN MEDICAL TECHNOLOGY CO LTD 2013-09-18 — — CN claimed
CN-103159749-A Synthesis method for antidepressant drug vilazodone NANJING ACESYS PHARMACEUTICAL TECHNOLOGY CO LTD 2013-06-19 — — CN claimed
EP-1215210-B1 Benzofurans MERCK PATENT GMBH (DE) 2006-10-18 — — EP claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 — — US claimed
CN-1181067-C Benzofurans Ĭ��ר���ɷ����޹�˾ 2004-12-22 — — CN claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 — — US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 — — US claimed
EP-0738722-B1 5-Amino-benzofuran-2-carboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-06-25 — — EP claimed
EP-1215210-A2 Benzofurans MERCK PATENT GmbH (DE) 2002-06-19 — — EP claimed
US-5977112-A Process of making substituted benzofurans MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-11-02 — — US claimed
CN-1140171-A Benzofurans MERCK PATENT GMBH (DE) 1997-01-15 — — CN claimed
EP-0738722-A1 5-Amino-benzofuran-2-carboxylic acid derivatives MERCK PATENT GmbH (DE) 1996-10-23 — — EP claimed
CN-118745163-A Benzofuran compound, preparation method and application thereof, and PDGFR kinase inhibitor 四川省医学科学院·四川省人民医院 2024-10-08 — — CN disclosed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 — — CN disclosed
WO-1994014801-A1 HETEROCYCLIC UREA DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 — — WO disclosed
EP-0586254-A1 Furanoindoline derivatives and their use as antitumor agents ELI LILLY AND COMPANY (US) 1994-03-09 — — EP disclosed
US-5248691-A Antitumor agent ELI LILLY AND COMPANY (US) 1993-09-28 — — 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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 MAOA 47/4885MAOB 78/4885POLB 2509/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 MAOA 47/4885MAOB 78/4885POLB 2509/4885

“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.