SCHEMBL1621780

SCHEMBL1621780

CCOC(=O)C(C(=O)OCC)c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 8/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL30468543 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL17446891 0.94 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL17781100 0.92 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL2126106 0.89 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTGAAKMT2A
SCHEMBL28908950 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL16749018 0.88 MEN1 (0.38) ALDH1A1MAPTCRHBPCRHR2KMT2A
SCHEMBL14457140 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL6645249 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL8656095 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTCRHBPCRHR2
SCHEMBL29923851 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 EP disclosed
WO-2025022093-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-01-30 WO disclosed
WO-2024140970-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-110769821-B Spiro indolines as IL-17 modulators UCB生物制药有限责任公司 2023-07-07 CN disclosed
CN-115197195-A Preparation method of flumatinib intermediate 江苏豪森药业集团有限公司 2022-10-18 CN disclosed
EP-3638227-B1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2022-08-10 EP disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
CN-101198602-A Saminopyrimidine derivates with tIE2 inhibiting activity ASTRAZENECA AB (SE) 2008-06-11 CN disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 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 (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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B ALDH1A1 2294/4885L3MBTL1 3563/4885MAPT 4500/4885
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP ALDH1A1 3080/4885L3MBTL1 3686/4885MAPT 2488/4885
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 ALDH1A1 1756/4885L3MBTL1 3548/4885MAPT 3163/4885

“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.