SCHEMBL2208550

SCHEMBL2208550

O=C(c1nc2ccccc2s1)[C@H]1CC[C@H](NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 4/20 0.46
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GLO1 Q04760 1/20 0.44
STAT3 P40763 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL2208556 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL2207949 0.86 KCNH2 (0.58) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL2207956 0.86 KCNH2 (0.58) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL2205416 0.86 KCNH2 (0.60) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2205426 0.86 KCNH2 (0.60) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2205336 0.85 LMNA (0.48) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2205345 0.85 LMNA (0.48) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL2204313 0.84 LMNA (0.52) ALDH1A1MAPTHPGDLMNAKCNH2
SCHEMBL2204321 0.84 LMNA (0.52) ALDH1A1MAPTHPGDLMNAKCNH2
SCHEMBL2206278 0.83 PARP1 (0.47) ALDH1A1MAPTHPGDTSHRMAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3969/4885MAPT 4688/4885HPGD 4196/4885

“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.