SCHEMBL27007129

SCHEMBL27007129

CC(=O)NCCCNC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPK1 P28482 1/20 0.67
HIF1A Q16665 1/20 0.67
ADRA1A P35348 1/20 0.58
PAOX Q6QHF9 3/20 0.54
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FOLH1 Q04609 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL345674 0.92 KDM4E (0.80) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL3557960 0.89 KDM4E (0.57) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1900471 0.89 KDM4E (0.82) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL8958360 0.86 KDM4E (0.43) KDM4EMAPK1HIF1AADRA1AALDH1A1
SCHEMBL860791 0.83 KDM4E (0.94) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21306389 0.81 PAOX (0.74) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1847535 0.80 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL14740132 0.80 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1900654 0.80 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL10937726 0.80 KDM4E (1.00) KDM4EMAPK1HIF1AADRA1APAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 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 (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-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 KDM4E 474/4885MAPK1 176/4885HIF1A 443/4885

“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.