SCHEMBL5771419

SCHEMBL5771419

COc1ccc2nccc([C@@H](O)CN3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
RAD52 P43351 1/20 0.50
KCNH2 Q12809 2/20 0.49
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
UBE2N P61088 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 4/20 0.45

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
SCHEMBL5771426 1.00 SLC2A1 (0.52) SLC2A1KDM4EALDH1A1POLBRAD52
SCHEMBL5771425 1.00 SLC2A1 (0.52) SLC2A1KDM4EALDH1A1POLBRAD52
SCHEMBL5754730 0.83 SLC2A1 (0.56) SLC2A1KDM4EALDH1A1KCNH2
SCHEMBL6485488 0.82 SLC2A1 (0.53) SLC2A1KCNH2HTT
SCHEMBL6485492 0.82 SLC2A1 (0.53) SLC2A1KCNH2HTT
SCHEMBL6485496 0.82 SLC2A1 (0.53) SLC2A1KCNH2HTT
SCHEMBL4273361 0.81 SLC2A1 (0.59) SLC2A1KDM4EALDH1A1KCNH2
SCHEMBL4273379 0.81 SLC2A1 (0.59) SLC2A1KDM4EALDH1A1KCNH2
SCHEMBL4273370 0.81 SLC2A1 (0.59) SLC2A1KDM4EALDH1A1KCNH2
SCHEMBL5777034 0.81 HTR1A (0.49) KDM4EALDH1A1POLBRAD52MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US claimed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO SLC2A1 2617/4885KDM4E 4732/4885ALDH1A1 1678/4885

“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.