SCHEMBL19002622

SCHEMBL19002622

CNS(=O)(=O)CCCNC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
PAOX Q6QHF9 3/20 0.45
ADRA1A P35348 1/20 0.44
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL16750991 0.87 KDM4E (0.46) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2549287 0.83 KDM4E (0.33) KDM4EMAPK1HIF1AADRA1AALDH1A1
SCHEMBL19002627 0.79 POLB (0.44) KDM4EALDH1A1
SCHEMBL20665407 0.79 CYP2C19 (0.44) MAPK1TSHRALDH1A1MTNR1A
SCHEMBL26144797 0.79 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8067563 0.78 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL41983 0.78 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2551740 0.78 KDM4E (0.37) KDM4EMAPK1HIF1AADRA1AALDH1A1
SCHEMBL21776364 0.77 CASP2 (0.56) ALDH1A1
Acamprosate SCHEMBL17599929 0.77 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-05-11 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20230147507-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C KDM4E 1372/4885MAPK1 2241/4885HIF1A 4194/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885MAPK1 4/4885HIF1A 1098/4885

“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.