Sugi Predict

Sugi Predict / Compounds / SCHEMBL3325762

SCHEMBL3325762

SCHEMBL3325762

COc1c(O)cc(C=O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.63
▸ TPMT P51580 1/20 0.59
▸ ALDH5A1 P51649 1/20 0.54
▸ ABAT P80404 1/20 0.54
▸ DBH P09172 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44

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
SCHEMBL29240574 0.88 XDH (0.53) XDHTPMTALDH5A1ABATALDH1A1
SCHEMBL1447403 0.83 TUBB4A (0.61) XDHDBHALDH1A1KDM4ECYP3A4
SCHEMBL31337893 0.83 TUBB4A (0.61) XDHDBHALDH1A1KDM4ECYP3A4
SCHEMBL14175318 0.82 TUBB1 (0.68) TPMTDBHALDH1A1MAPTTUBB4A
SCHEMBL17527235 0.82 TUBB1 (0.68) TPMTDBHALDH1A1MAPTTUBB4A
SCHEMBL7287709 0.81 GPR35 (0.70) XDHTPMTDBHALDH1A1MAPT
SCHEMBL31009329 0.81 XDH (0.50) XDHTPMTALDH5A1ABATDBH
SCHEMBL5213371 0.81 XDH (0.50) XDHTPMTALDH5A1ABATDBH
SCHEMBL19358667 0.81 VCAM1 (0.54) XDHTPMTALDH5A1ABATALDH1A1
SCHEMBL5155052 0.80 ALDH1A1 (0.57) ALDH5A1ABATALDH1A1KDM4ETUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118079024-A Preparation method and application of zinc oxide-based skin squamous carcinoma PDT-light-controlled chemotherapy-light-controlled gene therapy composite material 湖南医药学院 2024-05-28 — — CN claimed
CN-120623096-B Solid phase synthesis method of beraprost sodium intermediate TIEN (TIANJIN) PHARMACEUTICAL CO.,LTD. (CN) 2026-05-26 — — CN disclosed
CN-118530294-B Aryl diamine immobilized linker, precursor thereof, preparation method and application 浙江大学 2025-02-14 — — CN disclosed
US-20250011285-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2025-01-09 — — US disclosed
CN-118079024-A Preparation method and application of zinc oxide-based skin squamous carcinoma PDT-light-controlled chemotherapy-light-controlled gene therapy composite material 湖南医药学院 2024-05-28 — — CN disclosed
CN-118079024-A Preparation method and application of zinc oxide-based skin squamous carcinoma PDT-light-controlled chemotherapy-light-controlled gene therapy composite material 湖南医药学院 2024-05-28 — — CN disclosed
CN-115368437-A Method for solid-phase synthesis of cyclic polypeptide 深圳市第二人民医院(深圳市转化医学研究院) 2022-11-22 — — CN disclosed
CN-115368437-A Method for solid-phase synthesis of cyclic polypeptide 深圳市第二人民医院(深圳市转化医学研究院) 2022-11-22 — — CN disclosed
CN-110147447-B Hidden polynomial naive Bayes text classification method and device 中国地质大学（武汉） 2022-11-18 — — CN disclosed
US-11352411-B2 Fusion peptides of CD4 helper T cell epitopes and vaccines thereof VACDIAGN BIOTECHNOLOGY CO., LTD (CN) 2022-06-07 — — US disclosed
US-8350029-B2 Process for the preparation of gefitinib CIPLA LIMITED (IN) 2013-01-08 — — US disclosed
US-20100137586-A1 Process for the Preparation of Gefitinib CIPLA LIMITED (IN) 2010-06-03 — — US disclosed
EP-2155656-A2 PROCESS FOR THE PREPARATION OF GEFITINIB Cipla Limited (IN) 2010-02-24 — — EP disclosed
EP-1699753-A4 IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE SUVEN LIFE SCIENCES LTD (IN) 2008-12-31 — — EP disclosed
WO-2008125867-A2 PROCESS FOR THE PREPARATION OF GEFITINIB CIPLA LIMITED (IN) 2008-10-23 — — WO disclosed
US-7385072-B2 Methods for the preparation of Entacapone SUVEN LIFE SCIENCES (IN) 2008-06-10 — — US disclosed
WO-2007094007-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE SUVEN LIFE SCIENCES LTD., (IN) 2007-08-23 — — WO disclosed
US-20070060767-A1 Methods for the preparation of Entacapone SUVEN LIFE SCIENCES (IN) 2007-03-15 — — US disclosed
EP-1699753-A1 IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE Suven Life Sciences Limited (IN) 2006-09-13 — — EP disclosed
WO-2005063693-A1 IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE SUVEN LIFE SCIENCES LTD (IN) 2005-07-14 — — 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 (3 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-20100137586-A1 Process for the Preparation of Gefitinib EGFR, BRAF, KRAS XDH 1580/4885TPMT 3076/4885ALDH5A1 3364/4885
US-20250011285-A1 CYP11A1 INHIBITORS CYP11B1, CYP19A1, CYP11B2 XDH 285/4885TPMT 1461/4885ALDH5A1 213/4885
US-20070060767-A1 Methods for the preparation of Entacapone OTC, NAAA, GNE XDH 390/4885TPMT 1070/4885ALDH5A1 153/4885

“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.