SCHEMBL470719

SCHEMBL470719

CC(=O)NC1CCC2CCCC21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
ATM Q13315 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7735033 0.92 PSEN1 (0.46) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL27782957 0.92 PSEN1 (0.46) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL14544523 0.88 PSEN1 (0.42) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL11683884 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL11683106 0.83 PSEN1 (0.52) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL12127275 0.80 EPHX1 (0.32) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL11719403 0.79 CYP2C9 (0.42) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL28810524 0.77 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12127258 0.75 BTK (0.51) CYP2C9KMT2ACA1CA2EPHX1
SCHEMBL1901754 0.75 PSEN1 (0.45) ALDH1A1KDM4EPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278920-B2 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-03-08 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
WO-2012031307-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2012-03-15 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-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Q6ZSR9, CUTA, MC4R ALDH1A1 435/4885KDM4E 3833/4885PSEN1 1368/4885

“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.