SCHEMBL2208968

SCHEMBL2208968

O=C1CSc2ccc(CNC3CCC(C(=O)c4nc5ccccc5s4)CC3)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAOB P27338 1/20 0.38
KDM1A O60341 1/20 0.38
ATM Q13315 1/20 0.37
KMT2A Q03164 1/20 0.37
GRK2 P25098 1/20 0.37
UHRF1 Q96T88 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL2204589 0.88 POLB (0.38) POLBATMKMT2A
SCHEMBL2204594 0.88 POLB (0.38) POLBATMKMT2A
SCHEMBL2208115 0.87 MAOB (0.44) POLBMAOBKMT2A
SCHEMBL2208112 0.87 MAOB (0.44) POLBMAOBKMT2A
SCHEMBL2201995 0.87 POLB (0.41) POLBATMKMT2AGRK2UHRF1
SCHEMBL2201993 0.87 POLB (0.41) POLBATMKMT2AGRK2UHRF1
SCHEMBL2206548 0.86 KMT2A (0.42) POLBATMKMT2A
SCHEMBL2206545 0.86 KMT2A (0.42) POLBATMKMT2A
SCHEMBL2205699 0.84 POLB (0.40) POLBATMKMT2AGRK2UHRF1
SCHEMBL2205696 0.84 POLB (0.40) POLBATMKMT2AGRK2UHRF1

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 10 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
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP claimed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO 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
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO 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 2885/4885MAOB 1079/4885KDM1A 1522/4885

“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.