SCHEMBL2204313

SCHEMBL2204313

COc1cccc2sc(C(=O)[C@H]3CC[C@H](NCc4ccc5c(c4)OCCO5)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
KCNH2 Q12809 6/20 0.48
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
PDE5A O76074 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL2204321 1.00 LMNA (0.52) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2207689 0.93 KCNH2 (0.46) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2207697 0.93 KCNH2 (0.46) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2205336 0.90 LMNA (0.48) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2205345 0.90 LMNA (0.48) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2203677 0.86 CHRM4 (0.52) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2203681 0.86 CHRM4 (0.52) LMNATP53KCNH2ALDH1A1POLB
SCHEMBL2208706 0.85 MMP8 (0.43) LMNATP53ALDH1A1MEN1GAA
SCHEMBL2208701 0.85 MMP8 (0.43) LMNATP53ALDH1A1MEN1GAA
SCHEMBL2208556 0.84 ALDH1A1 (0.49) LMNAKCNH2ALDH1A1POLBKDM4E

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.