SCHEMBL4035335

SCHEMBL4035335

[O-][n+]1ccc(-c2cc[n+]([O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36
S1PR1 P21453 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
EIF4H Q15056 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL317079 0.87 SLC22A2 (0.55) POLBSLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL10569329 0.85 SLC22A2 (0.52) POLBSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL5254585 0.83 MAPT (0.58) POLBMAPTS1PR1CYP2C19CYP3A4
SCHEMBL12132107 0.83 RAB9A (0.44) POLBSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL4098494 0.83 ESR1 (0.58) MEN1KMT2AMAPTHBBCYP3A4
Bromide SCHEMBL4084219 0.81 ESR1 (0.55) MEN1KMT2AMAPTHBBCYP3A4
SCHEMBL133385 0.77 S1PR1 (0.60) S1PR1
SCHEMBL4100152 0.77 ESR2 (0.52) KMT2AGAAKDM4ESMN1; SMN2TP53
SCHEMBL3997196 0.77 KIF11 (0.50) S1PR1LMNA
SCHEMBL739421 0.75 BCL2L1 (0.54) MEN1KMT2ATP53

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
CN-118718755-A Preparation method and application of POMOF/polymer nanofiber membrane 吉林化工学院 2024-10-01 CN claimed
CN-116622079-A Single-component white light coordination polymer 聊城大学 2023-08-22 CN claimed
CN-111606360-B Method for detecting dichlorvos 郑州轻工业大学 2022-06-24 CN claimed
CN-113150300-B Polyacid-based metal organic framework material with thermal trigger switch characteristic and application thereof 福州大学 2022-06-14 CN claimed
CN-113136036-B Polyacid-based metal organic framework material used as active layer of high-temperature resistive random access memory 福州大学 2022-06-14 CN claimed
US-20180282861-A1 POROUS METAL HALIDE FILM, FABRICATION METHOD THEREOF, AND FABRICATION METHOD OF ORGANOMETAL HALIDE HAVING PEROVSKITE STRUCTURE USING THE SAME GLOBAL FRONTIER CENTER FOR MULTISCALE ENERGY SYSTEMS AND SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2018-10-04 US claimed
EP-3376551-A1 POROUS METAL HALIDE FILM, FABRICATION METHOD THEREOF, AND FABRICATION METHOD OF ORGANOMETAL HALIDE HAVING PEROVSKITE STRUCTURE USING THE SAME Korea Research Institute of Chemical Technology (KR) 2018-09-19 EP claimed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
CN-116622079-B Single-component white light coordination polymer 聊城大学 2025-09-02 CN disclosed
EP-3244455-B1 METHOD FOR MANUFACTURING DEVICE COMPRISING INORGANIC/ORGANIC HYBRID PEROVSKITE COMPOUND FILM AND DEVICE COMPRISING INORGANIC/ORGANIC HYBRID PEROVSKITE COMPOUND FILM KOREA RES INST CHEMICAL TECH (KR) 2025-07-16 EP disclosed
CN-118718755-A Preparation method and application of POMOF/polymer nanofiber membrane 吉林化工学院 2024-10-01 CN disclosed
CN-118540970-A Surface coordination modified all-inorganic perovskite and preparation method and application thereof 南京航空航天大学 2024-08-23 CN disclosed
CN-116622079-A Single-component white light coordination polymer 聊城大学 2023-08-22 CN disclosed
CN-116622079-A Single-component white light coordination polymer 聊城大学 2023-08-22 CN disclosed
EP-1503757-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-16 EP disclosed
US-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents MERCK SHARP & DOHME CORP. 2005-08-11 US disclosed
EP-1503757-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-02-09 EP disclosed
WO-2003092595-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC (US) 2003-11-13 WO disclosed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US disclosed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 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 (1 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-20050176753-A1 controlling signal transduction; anticancer agents; antitumor agnets; atherosclerosis; vision defects; antidiabetic agents; antiinflammatory agents IRAK4, MAP3K4, MAP3K1 POLB 3798/4885SLC22A2 4579/4885SLC22A1 4521/4885

“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.