SCHEMBL4428436

SCHEMBL4428436

C=CCc1cc(Cl)nnc1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
GLP1R P43220 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 7/20 0.37
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TARBP2 Q15633 1/20 0.36

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
SCHEMBL4041010 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL29739916 0.77 GLP1R (0.49) ALDH1A1MAPK1HSD17B10L3MBTL1GLP1R
SCHEMBL4019772 0.77 GLP1R (0.49) ALDH1A1MAPK1HSD17B10L3MBTL1GLP1R
SCHEMBL25771606 0.75 TSHR (0.47) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL23618033 0.75 NR1H2 (0.47) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL5886537 0.73 MAPT (0.43) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL5888721 0.72 KDM4E (0.39) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL5886482 0.71 KDM4E (0.42) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL7634356 0.70 ESR1 (0.50) ALDH1A1MAPK1HSD17B10KDM4EL3MBTL1
SCHEMBL31208503 0.70 MAPT (0.40) ALDH1A1MAPK1HSD17B10L3MBTL1GLP1R

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-20090069334-A1 Pyridazine based alpha-helix mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20090069334-A1 Pyridazine based alpha-helix mimetics H1-4, H1-5, H1-0 ALDH1A1 3022/4885MAPK1 2985/4885HSD17B10 2354/4885

“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.