SCHEMBL5355158

SCHEMBL5355158

COc1cc(OC)nc(OCC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5364639 0.84 TSHR (0.53) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18531914 0.78 LMNA (0.41) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9052757 0.78 LMNA (0.41) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2844487 0.77 KDM4E (0.50) LMNATDP1KDM4EALDH1A1ALOX15
SCHEMBL10613852 0.76 POLB (0.48) SMN1; SMN2POLBCYP1A2
SCHEMBL27716808 0.75 CYP1A2 (0.46) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8986465 0.75 PKM (0.41) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3444212 0.75 PTGS1 (0.53) LMNATDP1KDM4EALDH1A1POLB
SCHEMBL7012356 0.75 LMNA (0.56) LMNATDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6333728 0.74 L3MBTL1 (0.48) LMNATDP1SMN1; SMN2CYP1A2EDNRB

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
CN-100418955-C Novel Benzo-fused heterocycles ACTELION PHARMOUEUTICALS LTD (CH) 2008-09-17 CN disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 LMNA 983/4885TDP1 2012/4885KDM4E 887/4885

“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.