SCHEMBL6026

SCHEMBL6026

CCC(C(N)=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.55
MKNK2 Q9HBH9 12/20 0.55
CYP2A6 P11509 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
WNT3A P56704 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KCNH2 Q12809 2/20 0.44
PARP1 P09874 1/20 0.43
DHODH Q02127 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL29931638 0.83 SMN1; SMN2 (0.49)
SCHEMBL2436131 0.83 SMN1; SMN2 (0.49)
SCHEMBL30338756 0.81 MKNK1 (0.59) MKNK1MKNK2CYP2A6CYP3A4CA12
SCHEMBL4369739 0.79 MKNK1 (0.61) MKNK1MKNK2CYP2A6CYP3A4CA12
SCHEMBL2431337 0.76 LMNA (0.51) CYP2A6CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8813871 0.75 FFAR1 (0.44)
SCHEMBL12360035 0.75 NPC1 (0.54) MKNK1MKNK2CYP2A6CYP3A4CYP2D6
SCHEMBL933922 0.74 MKNK1 (0.55) MKNK1MKNK2CYP2A6
SCHEMBL2925473 0.74 MKNK1 (0.55) MKNK1MKNK2CYP2A6CYP3A4CA12
SCHEMBL27536593 0.74 MKNK1 (0.56) MKNK1MKNK2CYP2A6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT MKNK1 3973/4885MKNK2 3792/4885CYP2A6 3223/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A MKNK1 2060/4885MKNK2 2083/4885CYP2A6 2986/4885

“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.