SCHEMBL6090

SCHEMBL6090

CCCC(=O)Nc1ccc(-c2cnc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC4 P56524 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
PIK3CD O00329 1/20 0.57
GSK3A P49840 4/20 0.53
GSK3B P49841 4/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
MMP1 P03956 1/20 0.52
MMP9 P14780 1/20 0.52
MAPT P10636 3/20 0.51

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
SCHEMBL4929814 0.85 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL26613449 0.83 MAPK10 (0.57) TP53CNR1CNR2MMP1MMP9
SCHEMBL20508315 0.81 TRPV1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13210534 0.80 TP53 (0.73) TP53HDAC1HDAC2HDAC3HDAC4
SCHEMBL28507937 0.79 GAA (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11898604 0.78 TP53 (0.57) TP53GSK3AGSK3BMAPTALDH1A1
SCHEMBL20509078 0.78 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL882739 0.77 F2R (0.59) TP53HDAC1HDAC2HDAC3HDAC4
SCHEMBL27894588 0.77 MAP4K4 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL30444576 0.76 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC4HDAC7

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 TP53 4548/4885HDAC1 72/4885HDAC2 222/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A TP53 4457/4885HDAC1 107/4885HDAC2 234/4885

“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.