SCHEMBL22025286

SCHEMBL22025286

C=CCN(C(=O)OCC)C(C)C(=O)N(C)OC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3190811 0.83 ALDH1A1 (0.35) KMT2AFAAHALDH1A1LMNAPOLB
SCHEMBL21403711 0.82 KMT2A (0.34) MEN1KMT2AFAAHALDH1A1
SCHEMBL21403595 0.82 FAAH (0.31) MEN1KMT2AFAAH
SCHEMBL6211982 0.75 MEN1 (0.36) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL6213862 0.74 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL11376421 0.73 MEN1 (0.34) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL21403730 0.70 SMN1; SMN2 (0.38) MEN1KMT2A
SCHEMBL21403728 0.70 SMN1; SMN2 (0.38) MEN1KMT2A
SCHEMBL7186238 0.69 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL22183822 0.69

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 3 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

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 MEN1 3877/4885KMT2A 2564/4885FAAH 3725/4885
US-11155559-B2 Sulfonyl-substituted isoquinolines as inhibitors of RHO kinase and hERG potassium channel activity KCNQ2, KCNQ1, KCNH3 MEN1 3144/4885KMT2A 2220/4885FAAH 3542/4885

“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.