SCHEMBL2295789

SCHEMBL2295789

O=C(NNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.61
P2RX7 Q99572 1/20 0.58
CTRB1 P17538 2/20 0.57
MGLL Q99685 1/20 0.57

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
SCHEMBL27880557 0.94 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL11651843 0.94 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL28433159 0.92 CA12 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL9673742 0.90 ALDH1A1 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL7356625 0.90 SMN1; SMN2 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL28954497 0.90 ALDH1A1 (0.63) CA12CA1CA2CA9LMNA
SCHEMBL2918702 0.90 GAA (0.64) CA12CA1CA2CA9LMNA
SCHEMBL234454 0.89 LMNA (0.62) CA12CA1CA2CA9LMNA
SCHEMBL4149248 0.88 ALDH1A1 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL12832074 0.87 CA12 (0.54) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005028449-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF 1,2-DISUBSTITUTED HEXAHYDROPYRIDAZINE-3-CARBOXYLIC ACIDS AND ESTERS THEREOF HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) 2005-03-31 WO claimed
CN-119936220-A Detection method of diamine impurity, minocycline hydrochloride capsule and preparation method 海口市制药厂有限公司 2025-05-06 CN disclosed
CN-111494395-B Carbidopa and levodopa prodrugs and their use for treating parkinson's disease 艾伯维公司 2024-06-21 CN disclosed
CN-112409253-B Method for synthesizing chiral alpha-tertiary amine by catalytic kinetic resolution 上海科技大学 2022-11-29 CN disclosed
CN-111393333-B Preparation method of 4-amino substituted cyclohexadienone derivative 武汉英纳氏药业有限公司 2022-05-03 CN disclosed
CN-106132984-A Pharmaceutically-related aromatic-cationic peptides 康德生物医疗技术公司 2016-11-16 CN disclosed
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
US-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
US-7132535-B2 Process for preparing hexahydropyridazine-3-carboxylic acid derivatives ISOCHEM (FR) 2006-11-07 US disclosed
EP-1468993-B1 Process for the preparation of hexahydropyridazine-3-carboxylic acid derivatives ISOCHEM SA (FR) 2005-12-21 EP disclosed
WO-2005028449-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF 1,2-DISUBSTITUTED HEXAHYDROPYRIDAZINE-3-CARBOXYLIC ACIDS AND ESTERS THEREOF HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) 2005-03-31 WO disclosed
US-20040210053-A1 Process for preparing hexahydropyridazine-3-carboxylic acid derivatives ISOCHEM (FR) 2004-10-21 US disclosed
EP-1468993-A1 Process for the preparation of hexahydropyridazine-3-carboxylic acid derivatives ISOCHEM (FR) 2004-10-20 EP disclosed
US-20030130269-A1 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds AVENTIS PHARMA S.A. 2003-07-10 US disclosed
US-6570012-B2 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, useful for preperation of therapeutically active compounds AVENTIS PHARMA S.A. (FR) 2003-05-27 US disclosed
US-6548664-B1 Alkylation, hydrogenation, cyclization, condensation, deracemization AVENTIS PHARMA S.A. (FR) 2003-04-15 US disclosed
US-20020128473-A1 Derivatives of octahydro-6,10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds AVENTIS PHARMA S.A. 2002-09-12 US 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-20030130269-A1 Derivatives of octahydro-6, 10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds CYP2S1, DEGS1, GRIK1 CA12 3824/4885CA1 2012/4885CA2 2423/4885
US-20040210053-A1 Process for preparing hexahydropyridazine-3-carboxylic acid derivatives CYP3A5, HK1, HK2 CA12 668/4885CA1 539/4885CA2 273/4885
US-20020128473-A1 Derivatives of octahydro-6,10-dioxo-6H-pyridazino [1,2-a] [1,2] diazepine-1-carboxylic acid, their preparation process and their use in the preparation of therapeutically active compounds CYP2D6, THPO, CYP2B6 CA12 2934/4885CA1 1260/4885CA2 2553/4885
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, PEPD, VIP CA12 4826/4885CA1 4820/4885CA2 4453/4885

“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.