SCHEMBL24534643

SCHEMBL24534643

O=C1OC(c2ccccc2I)=N/C1=C/c1ccc(-n2cncn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DAPK3 O43293 2/20 0.43
MAPT P10636 3/20 0.42
MASP2 O00187 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLCG2 P16885 1/20 0.40
F2 P00734 3/20 0.39
FBP1 P09467 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38

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
SCHEMBL29517991 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2DAPK3MAPT
SCHEMBL22505139 0.74 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL29518009 0.74 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL22505137 0.73 MASP2 (0.42) KDM4EALDH1A1DAPK3MAPTMASP2
SCHEMBL6794709 0.69 MASP2 (0.82) KDM4EALDH1A1SMN1; SMN2MAPTMASP2
SCHEMBL6794706 0.69 MASP2 (0.82) KDM4EALDH1A1SMN1; SMN2MAPTMASP2
SCHEMBL951176 0.66 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL3585257 0.65 DAPK3 (0.57) KDM4EALDH1A1DAPK3MAPTMASP2
SCHEMBL3585803 0.65 DAPK3 (0.57) KDM4EALDH1A1DAPK3MAPTMASP2
SCHEMBL3585256 0.65 DAPK3 (0.57) KDM4EALDH1A1DAPK3MAPTMASP2

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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO KDM4E 4043/4885ALDH1A1 1549/4885SMN1; SMN2 1363/4885

“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.