SCHEMBL2204404

SCHEMBL2204404

CCOc1cccc2sc(C(=O)[C@H]3CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
DUSP3 P51452 1/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 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
SCHEMBL2204406 1.00 MAPT (0.40) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL2206545 0.93 KMT2A (0.42) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL2206548 0.93 KMT2A (0.42) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL2201995 0.89 POLB (0.41) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL2201993 0.89 POLB (0.41) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL2206894 0.86 MMP8 (0.41) MAPTLMNA
SCHEMBL2206899 0.86 MMP8 (0.41) MAPTLMNA
SCHEMBL2208968 0.84 POLB (0.39) KMT2APOLBATM
SCHEMBL2207701 0.83 MEN1 (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL2207704 0.83 MEN1 (0.40) KMT2AMEN1POLBALDH1A1LMNA

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 MAPT 4688/4885KMT2A 1756/4885MEN1 265/4885

“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.