SCHEMBL3384871

SCHEMBL3384871

CC(C)(C)[Si](C)(C)OC1CN(CCO)CCC1NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ADAM17 P78536 1/20 0.31
SSTR1 P30872 2/20 0.30
SSTR4 P31391 2/20 0.30

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
SCHEMBL3384867 1.00 HTR4 (0.33) HTR4SMYD3ADAM17SSTR1SSTR4
SCHEMBL3355844 0.81 HTR4 (0.41) HTR4
SCHEMBL3353554 0.81 HTR4 (0.41) HTR4
SCHEMBL3383116 0.81 HTR4 (0.41) HTR4
SCHEMBL3353548 0.81 HTR4 (0.41) HTR4
SCHEMBL3355851 0.81 HTR4 (0.41) HTR4
SCHEMBL2887683 0.74 PPM1D (0.32)
SCHEMBL31057204 0.74 PPM1D (0.32)
SCHEMBL3386754 0.73 CCR5 (0.33) SMYD3
SCHEMBL3386750 0.73 CCR5 (0.33) SMYD3

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 HTR4 3951/4885SMYD3 4566/4885ADAM17 3116/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 HTR4 3951/4885SMYD3 4566/4885ADAM17 3116/4885

“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.