SCHEMBL1714339

SCHEMBL1714339

CCCCC1=NCC(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HTR1D P28221 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
DAO P14920 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
TYMP P19971 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8639958 0.88
SCHEMBL5020014 0.79
SCHEMBL1714494 0.74 SORT1 (0.37) DAOGABRA1GABRG2GABRB3GABRA5
SCHEMBL11023566 0.74 APP (0.32)
SCHEMBL9498695 0.72 CRBN (0.32) ALDH1A1DDB1CRBN
SCHEMBL9674369 0.72 ALDH1A1 (0.35) ALDH1A1HTR1DKDM4EHSD17B10
Hydrochloric Acid SCHEMBL9671810 0.71 ALDH1A1 (0.34) ALDH1A1HTR1DKDM4EHSD17B10
Hydrochloric Acid SCHEMBL9673463 0.71 KDM4E (0.37) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL1755701 0.70
SCHEMBL11416505 0.68 SCD (0.36) ALDH1A1KDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592495-A Preparation method of 2-n-butyl-4-chloro-5-formylimidazole 上海启讯医药科技有限公司 2020-08-28 CN disclosed
CN-103214420-B Method for preparing 2-butyl-4-chloro-5-formylimidazole TAIZHOU VOCATIONAL & TECHNICAL COLLEGE 2015-04-08 CN disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
US-5536841-A Process for the preparation of 2-substituted 5-chloroimidazole-4-carbaldehydes LONZA LTD. (CH) 1996-07-16 US disclosed
US-5508425-A REACTION OF GLYCINE ESTER HYDROHALIDE WITH AMIDIC ACID ESTER TO FORM 3,5-DIHYDROIMIDAZOLE-4-ONE, CHLORINATION LONZA LTD. (CH) 1996-04-16 US disclosed
US-5486617-A Process for the preparation of 2-substituted 5-chloroimidazole-4-carbaldehydes LONZA LTD. (CH) 1996-01-23 US disclosed
US-5484939-A 2-substituted 5-chlorimidazoles LONZA LTD. (CH) 1996-01-16 US disclosed
US-5442075-A Reacting glycine ester hydrohalide with imidic acid ester in presence of base and solvent, reacting product with phosgene or phosphoroxy chloride and dimethylformamide LONZA LTD. (CH) 1995-08-15 US disclosed
EP-0653422-A1 Process for the preparation of 2-substituted 5-chlorimidazole-4-carbaldehydes LONZA AG (CH) 1995-05-17 EP disclosed
EP-0614892-A1 Process of preparation of optionally 2-substituted 5-chlorimidazol-4-carbaldehydes LONZA AG (CH) 1994-09-14 EP disclosed
EP-0614891-A2 Optionally 2-substituted 5-chloroimidazoles LONZA AG (CH) 1994-09-14 EP disclosed
EP-0614889-A1 Process of preparation of optionally 2-substituted 5-chlorimidazol-4-carbaldehydes LONZA AG (CH) 1994-09-14 EP disclosed
EP-0614890-A2 Optionally 2-substituted 5-chloroimidazoles LONZA AG (CH) 1994-09-14 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 ALDH1A1 4307/4885HTR1D 4745/4885DDB1 511/4885

“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.