SCHEMBL6027

SCHEMBL6027

NC(=O)CCCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.58
MKNK2 Q9HBH9 8/20 0.58
CYP2A6 P11509 1/20 0.57
KMT2A Q03164 1/20 0.48
TBXAS1 P24557 4/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL934607 0.85 EPHX2 (0.51) MKNK1MKNK2CYP2A6KMT2ATBXAS1
SCHEMBL13492969 0.83 MKNK1 (0.63) MKNK1MKNK2CYP2A6CA12CA1
SCHEMBL933853 0.82 TBXAS1 (0.68) CYP2A6KMT2ATBXAS1
SCHEMBL933900 0.82 CYP17A1 (0.51) TBXAS1
SCHEMBL11262500 0.82 FFAR1 (0.63)
SCHEMBL2386306 0.81 FFAR1 (0.69) MKNK1MKNK2CYP2A6TBXAS1
SCHEMBL5218911 0.81 TBXAS1 (0.55) MKNK1MKNK2TBXAS1
SCHEMBL29411532 0.81 HDAC3 (0.60) KMT2A
SCHEMBL21045563 0.81 HDAC3 (0.60) KMT2A
SCHEMBL4966893 0.81 CYP2A6 (0.69) MKNK1MKNK2CYP2A6CA12CA1

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 6 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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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.