SCHEMBL3355159

SCHEMBL3355159

O=C(O)NC1CCN(CCO)CC1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.35
DYRK1A Q13627 8/20 0.35
SLC18A3 Q16572 1/20 0.34
SSTR4 P31391 3/20 0.34
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
MC4R P32245 1/20 0.32
SSTR1 P30872 1/20 0.32
OPRM1 P35372 1/20 0.32
PKM P14618 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL4556164 0.79 CTSK (0.40) SSTR4SSTR1
SCHEMBL3355844 0.78 HTR4 (0.41)
SCHEMBL3355851 0.78 HTR4 (0.41)
SCHEMBL3353554 0.78 HTR4 (0.41)
SCHEMBL3383116 0.78 HTR4 (0.41)
SCHEMBL3353548 0.78 HTR4 (0.41)
SCHEMBL1920984 0.77 MC4R (0.44) SLC18A3KDM1AKMT2AMC4RPKM
SCHEMBL28781924 0.76 CTSK (0.48) ALDH1A1KMT2A
SCHEMBL1979937 0.76 JAK1 (0.52) KMT2A
SCHEMBL3355594 0.76 SSTR4 (0.38) GSK3BDYRK1ASSTR4SSTR1

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
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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 (2 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 GSK3B 2760/4885DYRK1A 1166/4885SLC18A3 4283/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 GSK3B 2760/4885DYRK1A 1166/4885SLC18A3 4283/4885

“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.