SCHEMBL1553885

SCHEMBL1553885

C[CH]N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TTR P02766 1/20 0.40
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GLS O94925 1/20 0.39

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
SCHEMBL8577340 0.81 CASP3 (0.43) CASP3POLBALDH1A1TTRCES1
SCHEMBL19533850 0.81 CASP3 (0.43) CASP3POLBALDH1A1TTRCES1
SCHEMBL8577334 0.81 CASP3 (0.43) CASP3POLBALDH1A1TTRCES1
SCHEMBL31377013 0.81 CASP3 (0.43) CASP3POLBALDH1A1TTRCES1
SCHEMBL30559874 0.81 CASP3 (0.43) CASP3POLBALDH1A1TTRCES1
SCHEMBL35297 0.80 ALDH1A1 (0.48) CASP3POLBALDH1A1CYP1A2EHMT2
SCHEMBL30124938 0.80 ALDH1A1 (0.48) CASP3POLBALDH1A1CYP1A2EHMT2
SCHEMBL29372938 0.80 ALDH1A1 (0.48) CASP3POLBALDH1A1CYP1A2EHMT2
SCHEMBL2910409 0.80 POLB (0.43) CASP3POLBALDH1A1CES1CYP1A2
SCHEMBL20954062 0.79 POLB (0.46) CASP3POLBALDH1A1CES1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047783-A Substituted triazole compound and preparation method and application thereof 山东大学 2024-05-17 CN claimed
CN-114591281-B Preparation method of allyl alcohol compound 河南师范大学 2023-09-29 CN claimed
CN-114591281-A Preparation method of allyl alcohol compound 河南师范大学 2022-06-07 CN claimed
US-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD. (IL) 2010-11-25 US claimed
WO-2008020438-A2 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF RIMONYX PHARMACEUTICALS LTD (IL) 2008-02-21 WO claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
EP-0865339-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-01-22 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed
US-6103739-A BONE RESORPTION; ANTIINFLAMMATORY AGENTS, SKIN DISORDERS; ANTITUMOR-CARCINOGENIC AND METASTASES AGENTS; ANGIOGENESIS INHIBITORS; ANTIARRITHIC AGENTS; RHEUMATOID DISEASES; OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS AND CORNEAL ULCERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-08-15 US claimed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO claimed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed
EP-0046289-B1 SUBSTITUTED ENANTHOLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-11-27 EP claimed
CN-118047783-A Substituted triazole compound and preparation method and application thereof 山东大学 2024-05-17 CN disclosed
US-3992388-A INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-11-16 US disclosed
US-3933830-A FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST PFIZER INC. (US) 1976-01-20 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 (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-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CASP3 8/4885POLB 1093/4885ALDH1A1 865/4885
US-20100298370-A1 BENZOTHIAZOLYL THIENOPYRIDINE DERIVATIVES AND USES THEREOF HPSE, HDGF, HPGDS CASP3 1345/4885POLB 2874/4885ALDH1A1 1539/4885

“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.