SCHEMBL962322

SCHEMBL962322

CCOC(=O)CC(=O)C=[N+]=[N-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL28596493 0.82 ATM (0.44) ALDH1A1FAAHTSHRMAPT
SCHEMBL14891482 0.77 GAA (0.36) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2743750 0.74 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1407300 0.74 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4412 0.74
SCHEMBL7264474 0.72 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28285089 0.72
Malonic Acid Diethyl Ester SCHEMBL1864301 0.72 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8636 0.72 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.72 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406002-A Benzondole derivative and synthesis method thereof 商洛学院 2024-07-30 CN claimed
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 CN claimed
CN-107556212-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 台州昌霖化工科技有限公司 2020-03-24 CN claimed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN claimed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 US claimed
CN-118406002-A Benzondole derivative and synthesis method thereof 商洛学院 2024-07-30 CN disclosed
CN-115108957-B Synthesis method of chiral 2-phenylpyrrolidine 深圳博瑞医药科技有限公司 2023-12-29 CN disclosed
CN-110105305-B Transition metal catalyzed C-H activation/cyclization synthesis 1,2-benzothiazine derivative green synthesis method 四川大学 2023-01-06 CN disclosed
CN-109053550-B Synthesis method of benzindole derivative 陕西科技大学 2021-06-25 CN disclosed
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 CN disclosed
CN-107556212-B Method for preparing 2-diazo-acetoacetic acid p-nitrobenzyl ester 台州昌霖化工科技有限公司 2020-03-24 CN disclosed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1114045-A1 2-METHOXYIMINO-2-(PYRIDINYLOXYMETHYL)PHENYL ACETAMIDES WITH 5 MEMBERED HETEROCYCLIC RINGS ON THE PYRIDINE RING AS FUNGICIDES Dow AgroSciences LLC (US) 2001-07-11 EP disclosed
US-6133294-A APPLYING AS FUNGICIDES DOW AGROSCIENCES LLC 2000-10-17 US disclosed
WO-2000015637-A1 2-METHOXYIMINO -2-(PYRIDINYLOXYMETHYL) PHENYL ACETAMIDES WITH 5 MEMBERED HETEROCYCLIC RINGS ON THE PYRIDINE RING AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2000-03-23 WO disclosed
US-4683296-A ANTIBIOTICS, SILATION BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 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 (2 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 GAA 794/4885MGAM 4141/4885SI 813/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS GAA 2694/4885MGAM 817/4885SI 1889/4885

“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.