SCHEMBL2204589

SCHEMBL2204589

O=C1CSc2ccc(CN[C@H]3CC[C@H](C(=O)c4nc5cccnc5s4)CC3)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL2204594 1.00 POLB (0.38) POLBHTTALDH1A1LMNAATM
SCHEMBL2208968 0.88 POLB (0.39) POLBATMKMT2A
SCHEMBL2208112 0.80 MAOB (0.44) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2208115 0.80 MAOB (0.44) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2206548 0.80 KMT2A (0.42) POLBHTTALDH1A1LMNAATM
SCHEMBL2206545 0.80 KMT2A (0.42) POLBHTTALDH1A1LMNAATM
SCHEMBL2204406 0.80 MAPT (0.40) POLBHTTALDH1A1LMNAATM
SCHEMBL2204404 0.80 MAPT (0.40) POLBHTTALDH1A1LMNAATM
SCHEMBL2201995 0.80 POLB (0.41) POLBHTTALDH1A1LMNAATM
SCHEMBL2201993 0.80 POLB (0.41) POLBHTTALDH1A1LMNAATM

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 POLB 2885/4885HTT 3735/4885ALDH1A1 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.