SCHEMBL2207697

SCHEMBL2207697

CCOc1cccc2sc(C(=O)C3CCC(NCc4ccc5c(c4)OCCO5)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
LMNA P02545 5/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 4/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
BLM P54132 1/20 0.39
DUSP3 P51452 1/20 0.39
SLC2A1 P11166 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
SCHEMBL2207689 1.00 KCNH2 (0.46) KCNH2LMNATP53MAPTPOLB
SCHEMBL2204321 0.93 LMNA (0.52) KCNH2LMNATP53MAPTPOLB
SCHEMBL2204313 0.93 LMNA (0.52) KCNH2LMNATP53MAPTPOLB
SCHEMBL2205345 0.88 LMNA (0.48) KCNH2LMNATP53MAPTPOLB
SCHEMBL2205336 0.88 LMNA (0.48) KCNH2LMNATP53MAPTPOLB
SCHEMBL2206899 0.86 MMP8 (0.41) LMNATP53MAPT
SCHEMBL2206894 0.86 MMP8 (0.41) LMNATP53MAPT
SCHEMBL2208556 0.82 ALDH1A1 (0.49) KCNH2LMNAMAPTPOLBHPGD
SCHEMBL2208550 0.82 ALDH1A1 (0.49) KCNH2LMNAMAPTPOLBHPGD
SCHEMBL2204406 0.80 MAPT (0.40) LMNAMAPTPOLBHPGDALDH1A1

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 KCNH2 1559/4885LMNA 2688/4885TP53 4300/4885

“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.