SCHEMBL6213862

SCHEMBL6213862

C=CCN(C(=O)OCC)C(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 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
SCHEMBL9473480 0.87 HCAR2 (0.35) MEN1KMT2AHCAR2TSHR
SCHEMBL9473606 0.83 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNA
SCHEMBL9472807 0.80 ALDH1A1 (0.35) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL26386507 0.80 ALDH1A1 (0.35) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL6211982 0.78 MEN1 (0.36) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL9207485 0.77 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL26386496 0.77 ALDH1A1 (0.35) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL11376421 0.75 MEN1 (0.34) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL22025286 0.74 MEN1 (0.34) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7023419 0.72 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNAPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2021-10-26 US disclosed
US-20200207772-A1 ISOQUINOLINYLSULFONYL DERIVATIVE AND USE THEREOF CHINA RESOURCES PHARMACEUTICAL HOLDINGS COMPANY LIMITED (CN) 2020-07-02 US disclosed
EP-3656772-A1 ISOQUINOLINYLSULFONYL DERIVATIVE AND USE THEREOF China Resources Pharmaceutical Holdings Company Limited (CN) 2020-05-27 EP disclosed
EP-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 EP disclosed
EP-0350733-B1 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-08-20 EP disclosed
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 EP disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 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-20200207772-A1 ISOQUINOLINYLSULFONYL DERIVATIVE AND USE THEREOF RHOT2, ROCK2, CIT ALDH1A1 3164/4885MEN1 3877/4885KMT2A 2564/4885
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity KCNQ2, KCNQ1, KCNH3 ALDH1A1 2790/4885MEN1 3144/4885KMT2A 2220/4885

“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.