Sugi Predict

Sugi Predict / Compounds / SCHEMBL2234342

SCHEMBL2234342

SCHEMBL2234342

COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ PPARG P37231 2/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL9001515 0.93 MAPT (0.54) PTPRBKMT2ALMNAMEN1RAB9A
SCHEMBL6311420 0.92 MEN1 (0.47) PTPRBKMT2ALMNAMEN1RAB9A
SCHEMBL5019060 0.86 KMT2A (0.52) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL2672728 0.86 MAPT (0.59) KMT2ALMNAMEN1RAB9ASMN1; SMN2
SCHEMBL6823644 0.86 KMT2A (0.49) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL22338893 0.86 KMT2A (0.52) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL6383862 0.85 ALDH1A1 (0.50) PTPRBKMT2ALMNAMEN1RAB9A
SCHEMBL15658606 0.84 HTR2A (0.50) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL240405 0.84 ALDH1A1 (0.62) KMT2ALMNAMEN1RAB9ANPC1
SCHEMBL4367409 0.84 ALDH1A1 (0.62) KMT2ALMNAMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 — — US claimed
JP-1026586-A — — None — — JP disclosed
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 — — US disclosed
US-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2021-10-21 — — US disclosed
CN-107278155-B Radiopharmaceutical complexes 拜耳有限公司 2021-03-30 — — CN disclosed
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-28 — — US disclosed
WO-2017211809-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 — — WO disclosed
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2017-11-30 — — US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 — — US disclosed
WO-2008017381-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE SANOFI-AVENTIS (FR) 2008-02-14 — — WO disclosed
CN-101040028-A Photocrosslinkable materials ROLIC AG (CH) 2007-09-19 — — CN disclosed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 — — US disclosed
EP-0296522-B1 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation DOW CHEMICAL CO (US) 1996-09-25 — — EP disclosed
US-5489425-A RHODIUM COMPLEXES ATTACHED TO ANTIBODY OR FAB FRAGMENTS FOR THERAPY OR MEDICAL DIAGNOSIS; ANTICARCINOGENIC AND -TUMOR AGENTS; RADIOLOGY; IMMUNOLOGY THE DOW CHEMICAL COMPANY (US) 1996-02-06 — — US disclosed
US-5284644-A Anticancer agent; therapy and diagnosis DOW CHEMICAL COMPANY, THE 1994-02-08 — — US disclosed
US-5274119-A Vicinal diols THE DOW CHEMICAL COMPANY (US) 1993-12-28 — — US disclosed
US-4994560-A Radiotherapy, diagnosis THE DOW CHEMICAL COMPANY (US) 1991-02-19 — — US disclosed
EP-0296522-A2 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation THE DOW CHEMICAL COMPANY (US) 1988-12-28 — — EP 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-20210322583-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 PTPRB 2542/4885KMT2A 4045/4885LMNA 2795/4885
US-20220143229-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 PTPRB 1141/4885KMT2A 1374/4885LMNA 3405/4885
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC PTPRB 3056/4885KMT2A 1972/4885LMNA 815/4885
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 PTPRB 2552/4885KMT2A 4075/4885LMNA 2774/4885
US-20190091354-A1 RADIO-PHARMACEUTICAL COMPLEXES EGFR, MET, ERBB2 PTPRB 1448/4885KMT2A 1354/4885LMNA 3298/4885
US-20190298865-A1 RADIO-PHARMACEUTICAL COMPLEXES FAP, PHPT1, DNPEP PTPRB 551/4885KMT2A 2126/4885LMNA 2131/4885

“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.