SCHEMBL2207684

SCHEMBL2207684

COc1ccc(C)c2sc(C(=O)[C@H]3CC[C@H](NCc4ccc5c(c4)NC(=O)CS5)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.36
EIF4H Q15056 1/20 0.36

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
SCHEMBL2207686 1.00 CHRM4 (0.48) CHRM4KMT2AMEN1POLBLMNA
SCHEMBL2206548 0.88 KMT2A (0.42) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2206545 0.88 KMT2A (0.42) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2201995 0.84 POLB (0.41) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2201993 0.84 POLB (0.41) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2208112 0.81 MAOB (0.44) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL2208115 0.81 MAOB (0.44) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL2204406 0.81 MAPT (0.40) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2204404 0.81 MAPT (0.40) KMT2AMEN1POLBLMNAHPGD
SCHEMBL2203677 0.80 CHRM4 (0.52) CHRM4KMT2AMEN1POLBLMNA

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 CHRM4 88/4885KMT2A 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.