SCHEMBL2201849

SCHEMBL2201849

COc1cccc2sc(O[C@H]3CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
ATM Q13315 1/20 0.35
PDE4B Q07343 1/20 0.35
PTPN1 P18031 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2201851 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2206545 0.86 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2206548 0.86 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2205783 0.85 HTR1D (0.45) MEN1KMT2AALDH1A1LMNAHTR1A
SCHEMBL2205777 0.85 HTR1D (0.45) MEN1KMT2AALDH1A1LMNAHTR1A
SCHEMBL2207704 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2207701 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2204406 0.81 MAPT (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2204404 0.81 MAPT (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2208296 0.77 LMNA (0.48) MEN1KMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US claimed
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 MEN1 265/4885KMT2A 1756/4885ALDH1A1 3969/4885

“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.