SCHEMBL2205696

SCHEMBL2205696

O=C1CSc2ccc(CN[C@H]3CC[C@H](C(=O)c4cc5ccccc5s4)CC3)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KDM2B Q8NHM5 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36
KMT2A Q03164 2/20 0.36
GRK2 P25098 1/20 0.36
UHRF1 Q96T88 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 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
SCHEMBL2205699 1.00 POLB (0.40) POLBKDM2BHTTALDH1A1LMNA
SCHEMBL2208968 0.84 POLB (0.39) POLBATMKMT2AGRK2UHRF1
SCHEMBL2206557 0.83 PARP1 (0.48)
SCHEMBL2206562 0.83 PARP1 (0.48)
SCHEMBL5263446 0.81 HTT (0.49) POLBHTTALDH1A1LMNAATM
SCHEMBL5260758 0.81 HTT (0.49) POLBHTTALDH1A1LMNAATM
SCHEMBL2201993 0.80 POLB (0.41) POLBHTTALDH1A1LMNAATM
SCHEMBL2201995 0.80 POLB (0.41) POLBHTTALDH1A1LMNAATM
SCHEMBL2206548 0.79 KMT2A (0.42) POLBHTTALDH1A1LMNAATM
SCHEMBL2206545 0.79 KMT2A (0.42) 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 2885/4885KDM2B 1169/4885HTT 3735/4885

“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.