SCHEMBL2207692

SCHEMBL2207692

CCOc1cccc2sc(C(=O)C3CCC(NC(C4=CC=CCC4)C4=COC=CO4)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
LMNA P02545 4/20 0.35
SLC2A1 P11166 1/20 0.35
DUSP3 P51452 1/20 0.34
TP53 P04637 5/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2204317 0.93 DYRK1A (0.33) MAPTLMNADUSP3TP53ALDH1A1
SCHEMBL2205340 0.89 TP53 (0.33) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL2208553 0.84 CNR1 (0.36) MAPTTP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL2207953 0.81 MAOA (0.34) TP53ALDH1A1PKMMAPK1POLB
SCHEMBL2207673 0.77 KDM2B (0.34)
SCHEMBL622081 0.74
SCHEMBL5261734 0.74
SCHEMBL3694128 0.71 HTR1A (0.32)
SCHEMBL5508377 0.69 KCNH2 (0.39)
SCHEMBL5254100 0.69 KCNH2 (0.36) SLC2A1

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 MAPT 4688/4885LMNA 2688/4885SLC2A1 4404/4885

“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.