SCHEMBL1013315

SCHEMBL1013315

COC(=O)c1cc(O)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 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
SCHEMBL28708249 0.94 POLB (0.46) POLBHTTTDP1CYP3A4L3MBTL1
SCHEMBL29734700 0.94 POLB (0.50) POLBHTTTDP1CYP3A4L3MBTL1
SCHEMBL5256629 0.94 POLB (0.50) POLBHTTTDP1CYP3A4L3MBTL1
SCHEMBL28708248 0.92 POLB (0.50) POLBHTTCYP3A4L3MBTL1NPC1
SCHEMBL1953578 0.89 POLB (0.61) POLBHTTCYP3A4L3MBTL1NPC1
SCHEMBL28604145 0.88 HTT (0.47) POLBHTTTDP1CYP3A4L3MBTL1
SCHEMBL215923 0.86 TPMT (0.51) POLBHTTCYP3A4L3MBTL1NPC1
SCHEMBL29465792 0.86 TPMT (0.51) POLBHTTCYP3A4L3MBTL1NPC1
SCHEMBL2331208 0.85 ALDH1A1 (0.50) POLBHTTTDP1CYP3A4NPC1
SCHEMBL19035895 0.85 TDP1 (0.44) POLBHTTTDP1CYP3A4NPC1

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 97 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
CN-118852118-A Compounds that inhibit tyrosine kinase activity and pharmaceutical compositions comprising the same 德州大学系统董事会 2024-10-29 CN disclosed
US-20240336606-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI ZELGEN PHARMA.TECH CO., LTD. (CN) 2024-10-10 US disclosed
CN-118420595-A STING agonist ST-76 and synthetic method and application thereof 河南牧业经济学院 2024-08-02 CN disclosed
CN-114026083-B Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2024-07-09 CN disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
US-20230373907-A1 SMALL MOLECULES PROMOTING SYMPATHETIC NERVE REGENERATION UNIV OREGON HEALTH & SCIENCE (US) 2023-11-23 US disclosed
US-20230373907-A1 SMALL MOLECULES PROMOTING SYMPATHETIC NERVE REGENERATION UNIV OREGON HEALTH & SCIENCE (US) 2023-11-23 US disclosed
CN-116444447-B SOS1 and HDAC double-target quinazoline hydroxamic acid compound as well as preparation method and application thereof 中国药科大学 2023-09-22 CN disclosed
EP-4234548-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2023-08-30 EP disclosed
CN-101863844-A Synthesis method of 6, 7-substituent-4-aniline quinazoline XIANGZHEN BIOLOGY TECHNOLOGY CO LTD 2010-10-20 CN disclosed
EP-2227460-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-15 EP disclosed
WO-2010076810-A2 A PROCESS FOR THE PREPARATION OF GEFITINIB IND-SWIFT LABORATORIES LIMITED (IN) 2010-07-08 WO 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
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
WO-2009053694-A1 THERAPEUTIC OXY-PHENYL-ARYL COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-30 WO disclosed
WO-2008125867-A2 PROCESS FOR THE PREPARATION OF GEFITINIB CIPLA LIMITED (IN) 2008-10-23 WO disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 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 (4 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 POLB 489/4885HTT 4182/4885TDP1 3471/4885
US-20240336606-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, SOS1, WEE2 POLB 2437/4885HTT 4866/4885TDP1 767/4885
US-20230373907-A1 SMALL MOLECULES PROMOTING SYMPATHETIC NERVE REGENERATION NGF, GAP43, CHIA POLB 3992/4885HTT 3119/4885TDP1 2186/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 POLB 4409/4885HTT 3288/4885TDP1 4219/4885

“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.