Sugi Predict

Sugi Predict / Compounds / SCHEMBL874114

SCHEMBL874114

SCHEMBL874114

COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CTSV O60911 2/20 0.52
▸ CTSL P07711 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ABCB1 P08183 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 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
SCHEMBL2089147 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29729282 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL20897393 0.94 CTSV (0.52) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL2063806 0.92 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29444157 0.92 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL1013111 0.92 MEN1 (0.57) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL29172544 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL12310509 0.90 ALDH1A1 (0.54) MEN1KMT2AALDH1A1CTSVCTSL
Nitric Acid SCHEMBL7007347 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL3900853 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 — — US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 — — EP disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 — — US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 — — US disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 — — CN disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 — — EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 — — WO disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 — — WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 — — EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 — — 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-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MEN1 385/4885KMT2A 2324/4885ALDH1A1 2225/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MEN1 385/4885KMT2A 2324/4885ALDH1A1 2225/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 MEN1 385/4885KMT2A 2324/4885ALDH1A1 2225/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 MEN1 4187/4885KMT2A 4291/4885ALDH1A1 1873/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 MEN1 385/4885KMT2A 2324/4885ALDH1A1 2225/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 MEN1 3302/4885KMT2A 3652/4885ALDH1A1 1079/4885

“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.