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
SCHEMBL2925473 0.74 MKNK1 (0.55) MKNK1MKNK2CYP2A6CYP3A4CA12
SCHEMBL933922 0.74 MKNK1 (0.55) MKNK1MKNK2CYP2A6
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.

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