SCHEMBL5747735

SCHEMBL5747735

O=C(OCc1ccccc1)N1CCC(NCc2cc3c(cn2)OCCO3)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRIN2B Q13224 6/20 0.48
CYP2C19 P33261 1/20 0.47
ENPP2 Q13822 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46

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
SCHEMBL3846247 0.86 SMN1; SMN2 (0.47) KCNH2SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL13167704 0.80 KCNH2 (0.60) KCNH2MEN1KMT2A
SCHEMBL11999873 0.80 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL3517676 0.79 KCNH2 (0.59) KCNH2MEN1KMT2A
SCHEMBL13145833 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19ENPP2
SCHEMBL4144862 0.79 KCNH2 (0.49) KCNH2
SCHEMBL2797603 0.77 KCNH2 (0.50) KCNH2
SCHEMBL5747485 0.77 HSD11B1 (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL12090574 0.76 KCNH2 (0.48) KCNH2
SCHEMBL10313867 0.75 USP30 (0.48) KCNH2

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-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885SMN1; SMN2 2706/4885NPC1 660/4885

“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.