SCHEMBL10466

SCHEMBL10466

CCC(C(N)=O)(c1cccnc1)c1ccccc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
KCNA5 P22460 3/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34

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
SCHEMBL17596757 0.83 CYP3A4 (0.47) LMNACYP3A4CYP1A2CYP11B1CYP11B2
SCHEMBL18440611 0.74 CYP3A4 (0.45) L3MBTL1LMNACYP3A4CYP1A2CYP11B1
SCHEMBL666962 0.70 CYP1A2 (0.50) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL27455034 0.69 KCNN4 (0.59) LMNAMAPTKMT2AKDM4E
SCHEMBL7383658 0.69 MKNK1 (0.40) MAPTTP53
SCHEMBL27586980 0.69 KCNA5 (0.43) ALOX15HTTLMNACYP3A4CYP1A2
SCHEMBL2202827 0.68 CHRM3 (0.47) ALDH1A1ALOX15LMNACYP3A4CYP1A2
SCHEMBL27973188 0.68 TBXAS1 (0.43) LMNACYP3A4CYP1A2CYP11B1CYP11B2
SCHEMBL17595060 0.68 RORC (0.34) ALDH1A1HTTLMNACYP3A4CYP1A2
SCHEMBL17594429 0.68 PIM1 (0.40) L3MBTL1KMT2A

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 ALDH1A1 2127/4885ALOX15 398/4885HTT 2602/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A ALDH1A1 3435/4885ALOX15 287/4885HTT 3048/4885

“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.