SCHEMBL2208296

SCHEMBL2208296

COc1cccc2sc(OC3CCC(NCc4ccc5c(c4)OCCO5)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
KCNH2 Q12809 7/20 0.42
PDE5A O76074 2/20 0.42
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2208287 1.00 LMNA (0.48) LMNATP53KCNH2PDE5APOLB
SCHEMBL2205783 0.83 HTR1D (0.45) LMNAMEN1KMT2AALDH1A1
SCHEMBL2205777 0.83 HTR1D (0.45) LMNAMEN1KMT2AALDH1A1
SCHEMBL2204321 0.83 LMNA (0.52) LMNATP53KCNH2PDE5APOLB
SCHEMBL2204313 0.83 LMNA (0.52) LMNATP53KCNH2PDE5APOLB
SCHEMBL2207689 0.78 KCNH2 (0.46) LMNATP53KCNH2POLBSLC2A1
SCHEMBL2207697 0.78 KCNH2 (0.46) LMNATP53KCNH2POLBSLC2A1
SCHEMBL2201849 0.77 MEN1 (0.40) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL2201851 0.77 MEN1 (0.40) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL2205336 0.73 LMNA (0.48) LMNATP53KCNH2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 LMNA 2688/4885TP53 4300/4885KCNH2 1559/4885

“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.